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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 (This dataset does not contain this module)

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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 (This dataset does not contain this module)

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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 (This dataset does not contain this module)

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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

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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: GSE175716

Dataset summary for GSE175716

Datast informationDatasetGSE175716
PMID34421602
Raw data ID/linkPRJNA733283
OrganismHomo sapiens
SourcePDX
TissueTumor tissue
Cancer type level1Liver cancer
Cancer type level2Advanced hepatocellular carcinoma
Regimensorafenib
Drug typeTargeted therapy
Sample sizeresistant 1, sensitive 2
Cell number6823
Extract protocolBD Rhapsody system
Data processingNovelBio Bio-Pharm Technology Co., Ltd.
Public datePublic on Aug 24, 2021
DescriptionThis dataset has 3 PDX.

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Drug summary for GSE175716

Drug nameDrugBank IDDrug typeTargets nameTargets uniprot ID
"Sorafenib"

DB00398

small moleculeBRAF; RAF1; FLT4; KDR; FLT3; PDGFRB; KIT; FGFR1; RET; FLT1P15056; P04049; P35916; P35968; P36888; P09619; P10721; P11362; P07949; P17948

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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.)

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.)

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.

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.
Gene symbolGene idavg_log2FCp_valp_val_adjpct.1pct.2Cell typeTimepoint

DUSP1

ENSG000001201291.433320.00e+000.00e+000.9420.703Malignant cellsNA

CKS1B

ENSG000001732071.431060.00e+000.00e+000.8560.464Malignant cellsNA

QPCT

ENSG000001158281.407680.00e+000.00e+000.5680.001Malignant cellsNA

TPT1

ENSG000001331121.40270.00e+000.00e+0010.999Malignant cellsNA

AZGP1

ENSG000001608621.398640.00e+000.00e+000.9440.643Malignant cellsNA

ELOVL3

ENSG000001199151.392290.00e+000.00e+000.5130.004Malignant cellsNA

MT-ATP8

ENSG000002282531.38660.00e+000.00e+0010.879Malignant cellsNA

DHTKD1

ENSG000001811921.386540.00e+000.00e+000.6590.273Malignant cellsNA

CCT5

ENSG000001507531.372230.00e+000.00e+000.9420.601Malignant cellsNA

ATP5G3

NA1.372010.00e+000.00e+000.9980.966Malignant cellsNA

VKORC1L1

ENSG000001967151.370480.00e+000.00e+000.6890.347Malignant cellsNA

HMGCS2

ENSG000001342401.364450.00e+000.00e+000.5260.263Malignant cellsNA

RPL34P31

ENSG000002392231.347560.00e+000.00e+000.630.114Malignant cellsNA

RPL23AP2

ENSG000002250671.322980.00e+000.00e+000.8780.499Malignant cellsNA

HSPB1

ENSG000001062111.319850.00e+000.00e+000.9920.827Malignant cellsNA

RPL7A

ENSG000002808581.314860.00e+000.00e+0010.974Malignant cellsNA

NUCKS1

ENSG000000692751.309720.00e+000.00e+000.9960.889Malignant cellsNA

TMEM56

NA1.307830.00e+000.00e+000.710.379Malignant cellsNA

RPS29P3

ENSG000002257701.306240.00e+000.00e+000.5920.153Malignant cellsNA

JUN

ENSG000001776061.3060.00e+000.00e+000.9870.816Malignant cellsNA

PUF60

ENSG000002740811.271720.00e+000.00e+000.9320.537Malignant cellsNA

EIF3E

ENSG000001044081.270440.00e+000.00e+000.9960.914Malignant cellsNA

LCN2

ENSG000001483461.269580.00e+000.00e+000.3990.172Malignant cellsNA

GDI2

ENSG000000576081.269460.00e+000.00e+000.9780.812Malignant cellsNA

NPC2

ENSG000001196551.261660.00e+000.00e+000.9610.756Malignant cellsNA

AL161909.1

NA1.244980.00e+000.00e+000.660.283Malignant cellsNA

FO393411.1

NA1.241160.00e+000.00e+000.9890.814Malignant cellsNA

CLSTN3

ENSG000002884271.228620.00e+000.00e+000.4850.093Malignant cellsNA

NUDT5

ENSG000001656091.225720.00e+000.00e+000.9150.543Malignant cellsNA

RPL9

ENSG000001636821.220250.00e+000.00e+000.960.689Malignant cellsNA

HCAR2

ENSG000001827821.218630.00e+000.00e+000.5080.013Malignant cellsNA

EEF1B2P6

ENSG000002132611.211790.00e+000.00e+000.9820.844Malignant cellsNA

JUNB

ENSG000001712231.208070.00e+000.00e+000.5960.235Malignant cellsNA

MNDA

ENSG000001635631.20660.00e+000.00e+000.3680Malignant cellsNA

RPL26

ENSG000001619701.205080.00e+000.00e+000.9990.951Malignant cellsNA

RPL35P5

ENSG000002255731.195630.00e+000.00e+000.9390.487Malignant cellsNA

LPL

ENSG000001754451.188720.00e+000.00e+000.4670.001Malignant cellsNA

GLUL

ENSG000001358211.184120.00e+000.00e+000.5990.178Malignant cellsNA

PTPN12

ENSG000001279471.183430.00e+000.00e+000.8270.463Malignant cellsNA

CAV2

ENSG000001059711.179950.00e+000.00e+000.9890.765Malignant cellsNA

BZW2

ENSG000001362611.175280.00e+000.00e+000.8570.483Malignant cellsNA

PEX11A

ENSG000001668211.174270.00e+000.00e+000.5620.185Malignant cellsNA

DHCR24

ENSG000001161331.162060.00e+000.00e+000.9390.79Malignant cellsNA

RPL12

ENSG000001979581.161320.00e+000.00e+000.9990.98Malignant cellsNA

ATP5F1

NA1.156210.00e+000.00e+000.9930.883Malignant cellsNA

GM2A

ENSG000001967431.151860.00e+000.00e+000.5880.197Malignant cellsNA

RPL8

ENSG000001610161.141550.00e+000.00e+0010.891Malignant cellsNA

AC246787.1

NA1.141330.00e+000.00e+000.9260.524Malignant cellsNA

RHOBTB3

ENSG000001642921.129790.00e+000.00e+000.5820.157Malignant cellsNA

ARL6IP1

ENSG000001705401.11940.00e+000.00e+000.9610.852Malignant cellsNA
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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.)

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.)

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.)

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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.)
Enrichment results for 5 known drug resistance mechanisms in malignant cells
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MechnismPvalFDRSignatureGenesetOverlapBackgroundCell typeEnriched Genes
Unusual Activation of Pro-survival Pathway9.20e-294.60e-28287478120823467Malignant cellsPPP2R5A,ADAM10,ADAM9,AKT2,ANXA2,AREG,CDH1,CDK6,CDKN1A,CUL5,DUSP6,GLS,HIF1A,HMGB1,HMOX1,HSPA1A,EIF4G1,IFI27,JUN,PKM,MAGEA6,MAGEA12,MCL1,MEF2D,MET,MAPK1,MUC1,MYC,NFKB1,PARP1,RAB6A,KRAS,RPS6,SELENOW,SMAD4,SOX4,SOX9,SRC,STMN1,TGFBR2,TPD52,TYMS,VOPP1,XIAP,YAP1,YWHAZ,SLC25A5,AGR2,AKAP12,AKT3,ANXA1,NET1,BAK1,BCL10,BID,BRD4,BTG1,CAV2,CCL2,ALCAM,CDC27,CDKN2A,CLU,CTNND1,CXCR4,DDR1,DICER1,DKK1,DUSP1,E2F6,EGR1,EGR2,EHF,HSP90B1,EP300,EPHA2,ERCC1,EREG,ETS1,EZH2,EZR,FAT1,FGF2,FN1,FIS1,FOXA1,FTL,FUS,GAPDH,GATA6,GRB2,GCLM,GSR,HBEGF,HIPK3,HMGB2,HSPA8,HSPB1,IDH1,NFKBIA,CXCL8,JAG1,AK4,KAT6A,RPS6KA3,RPS6KB1,LAMP2,LASP1,LATS2,LDHA,MAP3K1,MAP3K5,MAP3K8,MAGEA3,MDM2,MED1,MITF,MAPK3,MOB1A,MAP2K2,IGF2R,MSH2,NF1,NQO1,NUCKS1,OAZ2,SPP1,PDCD10,PDE4D,PTGS2,PGK1,PRKDC,PSMB5,PTPN12,RAC1,RAP1B,RASSF1,RAB22A,RICTOR,RRM1,HNRNPA1,RSF1,RSU1,S100A8,S100A11,SAV1,SDC2,SFPQ,SIAH2,SIRT1,SMAD3,SMC4,SOCS6,SRI,SP1,SPIN1,SRF,STAT5B,TPT1,TFAM,TGFBR1,TNFAIP3,TNFSF10,TOM1,TOP1,TWF1,USP14,WEE1,YBX1,YES1,ZEB1,ZNF217,ENO1,FASN,MAGEA4,RASS
Aberration of the Drug's Therapeutic Target2.10e-015.20e-012874901423467Malignant cellsAKT2,CDK6,MET,CREBBP,CDKN2A,EZH2,IDH1,MAP2K2,PTGS2,JAK1,SF3B1,NPM1,AKR1B1,TOP2A
Drug Inactivation by Structure Modification4.30e-016.00e-01287427423467Malignant cellsCES1,CDA,NME1,PON1
Irregularity in Drug Uptake and Drug Efflux4.80e-016.00e-01287437523467Malignant cellsSLC3A2,ABCB1,ABCC2,SLC4A4,SLC7A11
Epigenetic Alteration of DNA, RNA or Protein1.00e+001.00e+0028744552723467Malignant cellsH2AFY,MET,TRIP6,TYMS,XIAP,CREBBP,CCL2,CDKN2A,CXCR4,EZH2,GAPDH,IDH1,CXCL8,MAP3K8,MAPK3,RASSF1,SIRT1,SMC4,TIMP1,SNHG14,GDI2,AKT3,PPP1R15A,SMYD2,MT-CO2,NABP1,HULC


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.)
Up-regulated HallmarkUp-regulated KEGGUp-regulated GO BP

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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.)
Down-regulated HallmarkDown-regulated KEGGDown-regulated GO BP

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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.)

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.)
Regulating up-regulated DEGs in resistant groupRegulating down-regulated DEGs in resistant group
boxplotboxplot

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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.)

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.)
Motifs and TFs regulating up-regulated DEGs in resistant group
motifmotifNESAUCTF_highConfCell_type
motifmetacluster_55.34.140.0575E2F6; EGR1; NRF1; NRF1; NRF1; NRF1; NRF1; NRF1; NRF1; NRF1; NRF1; NRF1; ZBTB2; ZSCAN10 (directAnnotation). NFE2L1; NRF1; NRF1; NRF1 (inferredBy_Orthology). Malignant cells
motiftaipale_tf_pairs__ETV5_CEBPD_NSCGGANNTTRCGYAAN_CAP3.890.0557CEBPD; ETV5 (directAnnotation). Malignant cells
motifdbtfbs__GMEB1_K562_ENCSR928KOR_merged_N13.840.0552GMEB1 (directAnnotation). Malignant cells
motifstark__RCGCMATTW3.730.0545YY1 (inferredBy_Orthology). Malignant cells
motiftaipale_tf_pairs__GCM1_SPDEF_RTRSKGGCGGANNNNNNATCCNNN_CAP_repr3.730.0544GCM1; SPDEF (directAnnotation). Malignant cells
motiftaipale_cyt_meth__ZNF385D_NCGTCGCGACGN_eDBD_meth3.640.0538ZNF385D (directAnnotation). Malignant cells
motiftaipale_tf_pairs__TFAP2C_MAX_TNSCCNNNGGSNNNNCACGTGN_CAP_repr3.390.0519MAX; TFAP2C (directAnnotation). Malignant cells
motiftransfac_pro__M006523.280.0511NRF1 (directAnnotation). Malignant cells
motifkznf__ZFP57_Imbeault2017_OM_MEME3.220.0507ZFP57 (directAnnotation). Malignant cells
motiftransfac_pro__M012983.130.0501MECP2 (directAnnotation). Malignant cells
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Motifs and TFs regulating down-regulated DEGs in resistant group
motifmotifNESAUCTF_highConfCell_type
motifmetacluster_135.113.540.0694NR2C2 (directAnnotation). Malignant cells
motifmetacluster_135.103.540.0694MBD2; MBD2; MECP2; MECP2 (directAnnotation). Malignant cells
motiftfdimers__MD000383.390.0678TFAP2C (directAnnotation). Malignant cells
motifmetacluster_144.33.360.0675ZNF704; ZNF704 (directAnnotation). Malignant cells
motifmetacluster_7.133.340.0672ZFX (directAnnotation). Malignant cells
motifkznf__ZNF730_Imbeault2017_RP_RCADE3.240.0662ZNF730 (directAnnotation). Malignant cells
motifcisbp__M009683.230.066MTF2 (directAnnotation). Malignant cells
motifmetacluster_155.233.210.0658BCL11B; ZNF711; ZNF711 (directAnnotation). ZFY (inferredBy_Orthology). Malignant cells
motifmetacluster_160.203.210.0658JUND; PRDM15 (directAnnotation). Malignant cells
motifcisbp__M003413.20.0657PAX6 (directAnnotation). Malignant cells
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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

ZNF704

metacluster_144.3upMalignant cellsNA

JUND

metacluster_160.20upMalignant cellsNA

TRIM28

transfac_pro__M01199upMalignant cellsNA

THAP1

metacluster_141.5downMalignant cellsNA

SP1

transfac_pro__M01219downMalignant cellsNA

E2F6

metacluster_55.3downMalignant cellsNA

EGR1

metacluster_55.3downMalignant cellsNA

CEBPD

taipale_tf_pairs__ETV5_CEBPD_NSCGGANNTTRCGYAAN_CAPdownMalignant cellsNA

GMEB1

dbtfbs__GMEB1_K562_ENCSR928KOR_merged_N1downMalignant cellsNA

MAX

taipale_tf_pairs__TFAP2C_MAX_TNSCCNNNGGSNNNNCACGTGN_CAP_reprdownMalignant cellsNA
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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."