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Center for Computational Systems Medicine
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Dataset summary

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Drug summary

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Umap of single cell types and conditions (resistant and sensitive)

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Comparison of cell composition between the resistant and sensitive groups

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Comparison of intra-tumor heterogeneity (ITH) and epithelial-mesenchymal transition (EMT) scores of malignant cells between the resistant and sensitive groups

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Difference of cell-cell interactions between the resistant and sensitive groups

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Differentially expressed genes (DEGs) between the resistant and sensitive groups for each cell type

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Mechanism analysis of drug resistance-related DEGs for each cell type in the pre-treatment samples

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Mechanism analysis of drug resistance-related DEGs for each cell type in the post-treatment samples (This dataset does not contain this module)

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Mechanism analysis of drug resistance-related DEGs for each cell type in one patient or cell lines (This dataset does not contain this module)

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MicroRNAs (miRNAs) regulating drug resistance-related DEGs for Malignant cells

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Motifs and transcription factors (TFs) regulating drug resistance-related DEGs for each cell type

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Differentially expressed genes act as transcription factors

Dataset: GSE189460

Dataset summary for GSE189460

Datast informationDatasetGSE189460
PMID36380017
Raw data ID/linkPRJNA783047
OrganismHomo sapiens
Sourcepatients
TissueBone marrow aspirate
Cancer type level1Multiple myeloma
Cancer type level2Multiple myeloma (MM)
Regimenbortezomib + melphalan + prednisolone
Drug typeTargeted therapy
Sample sizepre (resistant 5, sensitive 13)
Cell number110638
Extract protocol10x genomics
Data processingCellRanger 3.0.1
Public datePublic on Sep 14, 2022
DescriptionThis dataset has 18 patients with pre-treatment samples.

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Drug summary for GSE189460

Drug nameDrugBank IDDrug typeTargets nameTargets uniprot ID
"Bortezomib"

DB00188

small moleculePSMB5; PSMB1P28074; P20618
"melphalan" is not included in the drug list.
"Prednisolone"

DB00860

small moleculeNR3C1P04150

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Umap of single cell types and conditions (resistant and sensitive)

check buttonUmap of cell types and conditions (resistant and sensitive). If this dataset has both pre-treatment and post-treatment samples, the cell types were annotated together. If this dataset is a cell line dataset, the UMAP of cell clusters and the cell ratio of drug-resistant and sensitive groups within each cluster will also be shown. (If the image exists, the user can click on it to enlarge it in a new window.)
Umap of cell typesboxplotUmap of conditionsboxplot

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Comparison of cell composition between the resistant and sensitive groups

check buttonIn the pre-treatment samples, the cell composition of the resistant and sensitive groups were compared.
* represents significant difference.
(If the image exists, the user can click on it to enlarge it in a new window.)

boxplot

check buttonIn the post-treatment samples, the cell composition of the resistant and sensitive groups were compared.
* represents significant difference.
(If the image exists, the user can click on it to enlarge it in a new window.)

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Comparison of ITH and EMT scores of malignant cells between the resistant and sensitive groups

check buttonComparison of ITH (intra-tumoral heterogeneity) and EMT (epithelial-mesenchymal transition) scores of malignant cells between the resistant and sensitive groups. ITH represents intratumoral heterogeneity, EMT represents epithelial mesenchymal transition, pre represents pre-treatment, post represents post-treatment, post2 represents longer post-treatment. (If the image exists, the user can click on it to enlarge it in a new window.)
Comparison of ITH scoresboxplotComparison of EMT scoresboxplot

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Difference of cell-cell interactions between the resistant and sensitive groups

check buttonIn the pre-treatment samples, the difference in cell-cell interactions between the resistant and sensitive groups was compared. The numbers indicate the count of cell-cell interactions that were either higher or lower in the resistant group compared to the sensitive group. The dot plots of significant ligand-receptor pairs in the resistant group and sensitive group are subsequently displayed. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

resistant vs. sensitive

boxplot
Dot plot of significant ligand-receptor pairs in the resistant groupDot plot of significant ligand-receptor pairs in the sensitive group
boxplotboxplot

check buttonIn the post-treatment samples, the difference in cell-cell interactions between the resistant and sensitive groups was compared. The numbers indicate the count of cell-cell interactions that were either higher or lower in the resistant group compared to the sensitive group. The dot plots of significant ligand-receptor pairs in the resistant group and sensitive group are subsequently displayed. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. The difference in cell-cell interactions between the resistant and sensitive groups was compared. The numbers indicate the count of cell-cell interactions that were either higher or lower in the resistant group compared to the sensitive group. The dot plots of significant ligand-receptor pairs in the resistant group and sensitive group are subsequently displayed. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

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Differentially expressed genes (DEGs) between the resistant and sensitive groups for each cell type

check buttonIn the pre-treatment samples, the differentially expressed genes (|avg_log2FC|>0.25 & p_val_adj<0.05) between the resistant and sensitive groups for each cell type.
Gene symbolGene idavg_log2FCp_valp_val_adjpct.1pct.2Cell typeTimepoint

MIDN

ENSG00000167470-0.3873050.00e+000.00e+000.4050.537NK cellspre

SPOCK2

ENSG00000107742-0.3998420.00e+000.00e+000.3630.516NK cellspre

CD8B

ENSG00000172116-0.413190.00e+000.00e+000.1280.278NK cellspre

JUNB

ENSG00000171223-0.4240443.45e-408.38e-360.9660.979NK cellspre

CD8A

ENSG00000153563-0.5768750.00e+000.00e+000.2220.407NK cellspre

NR4A2

ENSG00000153234-0.7988070.00e+000.00e+000.4880.68NK cellspre

IGLC2

ENSG00000211677-2.392170.00e+000.00e+000.5730.751NK cellspre

IGKC

ENSG000002115921.567740.00e+001.40e-450.6010.523Mono/Macropre

JCHAIN

ENSG000001324651.310030.00e+000.00e+000.4710.264Mono/Macropre

FCGR3A

ENSG000002037471.045240.00e+000.00e+000.4490.2Mono/Macropre

IFITM3

ENSG000001420890.8409120.00e+000.00e+000.7980.572Mono/Macropre

MS4A7

ENSG000001669270.7893410.00e+000.00e+000.6940.493Mono/Macropre

IFITM2

ENSG000001852010.7658960.00e+000.00e+000.8030.687Mono/Macropre

FKBP5

ENSG000000960600.7369980.00e+000.00e+000.5660.276Mono/Macropre

CD163

ENSG000001775750.7347970.00e+005.88e-420.4270.305Mono/Macropre

CD52

ENSG000001694420.7290190.00e+000.00e+000.830.639Mono/Macropre

HLA-DRB5

ENSG000001985020.7035250.00e+000.00e+000.7130.508Mono/Macropre

MT2A

ENSG000001251480.6402680.00e+000.00e+000.7330.542Mono/Macropre

TXNIP

ENSG000002659720.634860.00e+000.00e+000.920.799Mono/Macropre

SSR4

ENSG000001808790.6029040.00e+000.00e+000.9070.868Mono/Macropre

VAMP5

ENSG000001688990.5931520.00e+000.00e+000.7490.537Mono/Macropre

TMEM176B

ENSG000001065650.585290.00e+000.00e+000.6860.376Mono/Macropre

TSC22D3

ENSG000001575140.5650750.00e+000.00e+000.9730.87Mono/Macropre

GBP1

ENSG000001172280.5602030.00e+000.00e+000.4160.215Mono/Macropre

TNFSF10

ENSG000001218580.5567650.00e+000.00e+000.6470.43Mono/Macropre

MT-ND5

ENSG000001987860.5470040.00e+000.00e+000.9990.994Mono/Macropre

MZB1

ENSG000001704760.5323480.00e+000.00e+000.380.184Mono/Macropre

MS4A4A

ENSG000001100790.523680.00e+000.00e+000.3890.176Mono/Macropre

FYB1

ENSG000000820740.490290.00e+000.00e+000.9010.824Mono/Macropre

C1orf162

ENSG000001431100.4894780.00e+000.00e+000.8980.815Mono/Macropre

HSPA8

ENSG000001099710.4716690.00e+000.00e+000.8350.674Mono/Macropre

CTSC

ENSG000001098610.4687110.00e+000.00e+000.7170.59Mono/Macropre

SMAP2

ENSG000000840700.4661530.00e+000.00e+000.7830.611Mono/Macropre

SAP30

ENSG000001641050.4618840.00e+000.00e+000.4310.259Mono/Macropre

CTSB

ENSG000002851320.4608090.00e+000.00e+000.8470.783Mono/Macropre

HSP90AA1

ENSG000000808240.4274120.00e+000.00e+000.9780.931Mono/Macropre

PSMB9

ENSG000002398360.4272680.00e+000.00e+000.730.581Mono/Macropre

P2RY13

ENSG000001816310.4203620.00e+000.00e+000.5030.276Mono/Macropre

HLA-DQA2

ENSG000002063010.4185980.00e+000.00e+000.3260.112Mono/Macropre

ARL4A

ENSG000001226440.4138543.85e-369.35e-320.6980.593Mono/Macropre

WARS

NA0.4137140.00e+000.00e+000.6950.563Mono/Macropre

HLA-DPB1

ENSG000002366930.4113752.99e-227.25e-180.7990.749Mono/Macropre

SMIM25

NA0.4082331.73e-324.21e-280.4880.377Mono/Macropre

SERPINA1

ENSG000002773770.4045780.00e+000.00e+000.8760.804Mono/Macropre

PSME2

ENSG000002848890.4036850.00e+000.00e+000.8360.699Mono/Macropre

LAP3

ENSG000000025490.4003590.00e+000.00e+000.6250.45Mono/Macropre

HIST1H1C

NA0.3993150.00e+000.00e+000.330.162Mono/Macropre

RHOB

ENSG000001438780.3963811.99e-414.84e-370.5850.437Mono/Macropre

RRAS

ENSG000001264580.388560.00e+000.00e+000.4890.293Mono/Macropre

C3AR1

ENSG000001718600.3788270.00e+000.00e+000.380.159Mono/Macropre
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check buttonIn the post-treatment samples, the differentially expressed genes (|avg_log2FC|>0.25 & p_val_adj<0.05) between the resistant and sensitive groups for each cell type.

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. The following are differentially expressed genes (|avg_log2FC|>0.25 & p_val_adj<0.05) between the resistant and sensitive groups for each cell type.

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Mechanism analysis of drug resistance-related DEGs for each cell type in the pre-treatment samples

check buttonEnrichment results for 5 known drug-resistant mechanisms in malignant cells and 1 known mechanism in TME cells.The "Signature" column represents the differentially expressed genes (DEGs) used for enrichment. The "Geneset" column represents the genes included in this mechanism. The "Overlap" column represents the number of genes in the "Geneset" that are enriched in the "Signature". The "Enriched Genes" column represents the genes in the "Geneset" that are enriched in the "Signature". (If the image exists, the user can click on it to enlarge it in a new window.)
Enrichment results for 5 known drug-resistant mechanisms in malignant cells
boxplot
MechnismPvalFDRSignatureGenesetOverlapBackgroundCell typeEnriched Genes
Unusual Activation of Pro-survival Pathway2.10e-171.10e-169457818623467Malignant cellsADAM10,AREG,BCL2L11,BAX,BCL2,CDKN1A,CDKN1B,DNMT1,FBXW7,GSTP1,HMGB1,ID1,EIF4G1,IFI27,JUN,PKM,MCL1,MAP1LC3B,MYC,PARP1,PTEN,KRAS,RALBP1,RHOA,S100A4,STMN1,TP53INP1,TPD52,TYMS,YWHAZ,SLC25A5,ANXA1,HSPA5,BTG1,CASP8,CCND1,CDKN2A,HSPD1,CXCR4,DDIT3,DUSP1,DUSP2,EGR1,EZH2,EZR,FGFR1,FTL,FUS,GAPDH,NR3C1,GRB2,HMGB2,HNRNPU,HSPA8,EIF4A1,NFKBIA,ITGB1,TCF4,MAP4K3,MDM4,NSD2,NUCKS1,PABPC1,PDCD4,PRKDC,PTPN18,RAC1,RAP1B,RND3,HNRNPA1,SFPQ,SMC4,SMARCC1,SRSF2,TNFAIP3,TOP1,UCP2,WEE1,YBX1,GNAS,NPM1,BRD2,G3BP1,PMVK,QPRT,HSH2D
Aberration of the Drug's Therapeutic Target1.50e-013.90e-0194590623467Malignant cellsBCL2,CDKN2A,EZH2,FGFR1,SF3B1,NPM1
Epigenetic Alteration of DNA, RNA or Protein3.80e-016.30e-019454552023467Malignant cellsBCL2L11,BCL2,DNMT1,FBXW7,H2AFY,LMNA,TYMS,PMAIP1,ARID4B,CDKN2A,CXCR4,EZH2,GAPDH,PDCD4,SMC4,TIMP1,CYTOR,MALAT1,PPP1R15A,MX1
Drug Inactivation by Structure Modification6.70e-017.80e-0194527123467Malignant cellsGSTP1
Irregularity in Drug Uptake and Drug Efflux7.80e-017.80e-0194537123467Malignant cellsSLC3A2

Enrichment results for 1 known drug resistance mechanisms in TME cells

boxplot
MechnismPvalFDRSignatureGenesetOverlapBackgroundCell typeEnriched Genes
Regulation by the Disease Microenvironment3.50e-013.50e-0154186123467B cellsRHOB
Regulation by the Disease Microenvironment1.00e+001.00e+0040186023467CD4+ T cellsNA
Regulation by the Disease Microenvironment1.90e-011.90e-01190186323467CD8+ T cellsTGFB1,CXCR4,TSPYL2
Regulation by the Disease Microenvironment1.00e+001.00e+0047186023467cDCsNA
Regulation by the Disease Microenvironment8.70e-018.70e-01255186123467ErythrocytesEZH2
Regulation by the Disease Microenvironment1.00e+001.00e+003186023467FibroblastsNA
Regulation by the Disease Microenvironment1.90e-021.90e-02194186523467Mono_MacroVEGFA,CX3CR1,IL1B,RHOB,VIM
Regulation by the Disease Microenvironment4.20e-014.20e-0168186123467NK cellsCXCR4
Regulation by the Disease Microenvironment1.00e+001.00e+0017186023467pDCsNA
Regulation by the Disease Microenvironment1.00e+001.00e+0022186023467ProgenitorsNA

check buttonHallmark, KEGG and GOBP enrichment results for up-regulated genes in resistant group of pre-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)
Up-regulated HallmarkUp-regulated KEGGUp-regulated GO BP
boxplotboxplotboxplot

check buttonHallmark, KEGG and GOBP enrichment results for down-regulated genes in resistant group of pre-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window.Complete files can be downloaded from the download section.)
Down-regulated HallmarkDown-regulated KEGGDown-regulated GO BP
boxplotboxplotboxplot

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Mechanism analysis of drug resistance-related DEGs for each cell type in the post-treatment samples

check buttonEnrichment results for 5 known drug resistance mechanisms in malignant cells and 1 known mechanism in TME cells.The "Signature" column represents the differentially expressed genes (DEGs) used for enrichment. The "Geneset" column represents the genes included in this mechanism. The "Overlap" column represents the number of genes in the "Geneset" that are enriched in the "Signature". The "Enriched Genes" column represents the genes in the "Geneset" that are enriched in the "Signature". (If the image exists, the user can click on it to enlarge it in a new window.)

check buttonHallmark, KEGG and GOBP enrichment results for up-regulated genes in resistant group of post-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

check buttonHallmark, KEGG and GOBP enrichment results for down-regulated genes in resistant group of post-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

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Mechanism analysis of drug resistance-related DEGs for each cell type in one patient or cell lines

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. Enrichment results for 5 known drug resistance mechanisms in malignant cells and 1 known mechanism in TME cells are shown here.The "Signature" column represents the differentially expressed genes (DEGs) used for enrichment. The "Geneset" column represents the genes included in this mechanism. The "Overlap" column represents the number of genes in the "Geneset" that are enriched in the "Signature". The "Enriched Genes" column represents the genes in the "Geneset" that are enriched in the "Signature". (If the image exists, the user can click on it to enlarge it in a new window.)

check buttonHallmark, KEGG and GOBP enrichment results for up-regulated genes in resistant group. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

check buttonHallmark, KEGG and GOBP enrichment results for down-regulated genes in resistant group. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

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MicroRNAs (miRNAs) regulating drug resistance-related DEGs for malignant cells

check buttonIn the pre-treatment samples, the miRNAs with a score greater than 80 that regulate the top10 abs(avg_log2FC) drug resistance-related DEGs for malignant cells are shown here. If the gene does not have any miRNAs with a score greater than 80, it will not be shown. Here only the names of miRNAs with a score greater than 90 are shown, but some names will not be shown because of too many overlaps. (Complete files containing all datasets and cell types can be downloaded from the download section.)
Regulating up-regulated DEGs in resistant groupRegulating down-regulated DEGs in resistant group
boxplotboxplot

check buttonIn the post-treatment samples, the miRNAs with a score greater than 80 that regulate the top10 abs(avg_log2FC) drug resistance-related DEGs for Malignant cells are shown here. If the gene does not have any miRNAs with a score greater than 80, it will not be shown. Here only the names of miRNAs with a score greater than 90 are shown, but some names will not be shown because of too many overlaps. (Complete files containing all datasets and cell types can be downloaded from the download section.)

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. The miRNAs with a score greater than 80 that regulate the top10 abs(avg_log2FC) drug resistance-related DEGs for Malignant cells are shown here. Here only the names of miRNAs with a score greater than 80 are shown, but some names will not be shown because of too many overlaps. If the gene does not have any miRNAs with a score greater than 90, it will not be shown. (Complete files containing all datasets and cell types can be downloaded from the download section.)

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Motifs and transcription factors (TFs) regulating drug resistance-related DEGs for each cell type

check buttonIn the pre-treatment samples, the motifs and TFs that regulate drug resistance-related DEGs for each cell type are shown here. (Complete files can be downloaded from the download section.)
Motifs and TFs regulating up-regulated DEGs in resistant group of the pre-treatment samples
motifmotifNESAUCTF_highConfCell_type
motifhdpi__TCEAL25.690.165TCEAL2 (directAnnotation). B cells
motiftransfac_pro__M012815.50.16ILF2; NFATC2 (directAnnotation). B cells
motiftransfac_pro__M035555.380.157ILF2; NFATC2 (directAnnotation). B cells
motiftransfac_pro__M063324.860.145ZNF585A (directAnnotation). B cells
motiftransfac_pro__M072844.840.144ERG (directAnnotation). B cells
motiftransfac_pro__M076084.770.143ILF2; NFAT5; NFATC1; NFATC2; NFATC4 (directAnnotation). B cells
motifmetacluster_5.24.750.142ZNF564 (directAnnotation). B cells
motiftransfac_pro__M073014.690.141NFATC4 (directAnnotation). B cells
motifhdpi__SCAND24.550.137SCAND2P (directAnnotation). B cells
motiftransfac_pro__M057794.380.133ZNF674 (directAnnotation). B cells
Page: 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89

Motifs and TFs regulating down-regulated DEGs in resistant group of the pre-treatment samples
motifmotifNESAUCTF_highConfCell_type
motiftaipale_tf_pairs__ETV2_RFX5_NACTTCCGGYNNNNGCAACSN_CAP_repr5.240.22ETV2; RFX5 (directAnnotation). B cells
motiftransfac_public__M002374.810.205AHR; ARNT (directAnnotation). B cells
motifjaspar__MA0033.24.440.192FOXL1 (directAnnotation). B cells
motiftaipale_tf_pairs__ELK1_TBX21_TNRCACCGGAAGNN_CAP_repr4.20.183ELK1; TBX21 (directAnnotation). B cells
motifmetacluster_16.64.150.181SOX1; SOX14; SOX15; SOX18; SOX2; SOX2; SOX8; SRY (directAnnotation). SOX1; SOX10; SOX17; SOX3 (inferredBy_Orthology). B cells
motiftransfac_pro__M060754.040.177ZNF197 (directAnnotation). B cells
motifswissregulon__hs__YY13.990.175YY1 (directAnnotation). B cells
motifmetacluster_112.13.990.175ZNF433 (directAnnotation). B cells
motiftaipale_tf_pairs__TEAD4_DLX2_NRCATTCNNNNYAATTN_CAP_repr3.860.171DLX2; TEAD4 (directAnnotation). B cells
motiftransfac_pro__M065433.80.169ZNF418 (directAnnotation). B cells
Page: 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60

check buttonIn the post-treatment samples, the motifs and TFs that regulate drug resistance-related DEGs for each cell type are shown here. (Complete files can be downloaded from the download section.)

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. Motifs and TFs that regulate drug resistance-related DEGs for each cell type are shown here. (Complete files can be downloaded from the download section.)

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Differentially expressed genes act as transcription factors

check buttonThis table shows the differentially expressed genes that act as transcription factors. (Complete files can be downloaded from the download section.)
TFmotifExpressionCell typeTimepoint

JUN

tfdimers__MD00036upB cellspre

FOXP1

metacluster_134.4downB cellspre

CREM

transfac_pro__M00801downCD8+ T cellspre

FOSL2

metacluster_157.2downcDCspre

FOSL2

transfac_pro__M03870downcDCspre

FOSL2

metacluster_137.2downcDCspre

HSF1

transfac_pro__M04761downErythrocytespre

HMGA1

tfdimers__MD00410downErythrocytespre

KLF10

metacluster_170.2upMalignant cellspre

KLF2

metacluster_170.2upMalignant cellspre
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1"Sun X, Zhang Y, Li H, Zhou Y, Shi S, Chen Z, He X, Zhang H, Li F, Yin J, Mou M, Wang Y, Qiu Y, Zhu F. DRESIS: the first comprehensive landscape of drug resistance information. Nucleic Acids Res. 2023 Jan 6;51(D1):D1263-D1275. doi: 10.1093/nar/gkac812. PMID: 36243960; PMCID: PMC9825618."
2"Wishart DS, Feunang YD, Guo AC, Lo EJ, Marcu A, Grant JR, Sajed T, Johnson D, Li C, Sayeeda Z, Assempour N, Iynkkaran I, Liu Y, Maciejewski A, Gale N, Wilson A, Chin L, Cummings R, Le D, Pon A, Knox C, Wilson M. DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. doi: 10.1093/nar/gkx1037. PMID: 29126136; PMCID: PMC5753335."