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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

S100A8

ENSG000001435466.133040.00e+000.00e+000.980.073Malignant cellsNA

CHI3L1

ENSG000001330485.279940.00e+000.00e+000.9990.293Malignant cellsNA

S100A9

ENSG000001632204.848850.00e+000.00e+000.9960.39Malignant cellsNA

VIM

ENSG000000260254.304090.00e+000.00e+000.9950.173Malignant cellsNA

AKR1B1

ENSG000000856623.987510.00e+000.00e+000.9230.103Malignant cellsNA

PLIN2

ENSG000001478723.311180.00e+000.00e+0010.945Malignant cellsNA

TF

ENSG000000915133.194040.00e+000.00e+000.9470.482Malignant cellsNA

ZNF117

ENSG000001529262.821720.00e+000.00e+000.7940.027Malignant cellsNA

G0S2

ENSG000001236892.795610.00e+000.00e+000.8880.346Malignant cellsNA

LDHB

ENSG000001117162.657730.00e+000.00e+000.8330.015Malignant cellsNA

S100A11

ENSG000001631912.626820.00e+000.00e+000.9510.306Malignant cellsNA

SAA1

ENSG000002884112.451640.00e+000.00e+000.5810.101Malignant cellsNA

MTND1P23

ENSG000002259722.412090.00e+000.00e+000.7750.227Malignant cellsNA

RPL34P27

ENSG000002328582.381890.00e+000.00e+000.9580.424Malignant cellsNA

PTX3

ENSG000001636612.34190.00e+000.00e+000.6410.053Malignant cellsNA

PEG10

ENSG000002422652.222970.00e+000.00e+000.8780.313Malignant cellsNA

APMAP

ENSG000001014742.109770.00e+000.00e+000.9130.46Malignant cellsNA

BRI3

ENSG000001647132.063360.00e+000.00e+000.9680.519Malignant cellsNA

RPL34P26

ENSG000002236762.052930.00e+000.00e+000.730.137Malignant cellsNA

MARC1

NA2.034410.00e+000.00e+000.7490.27Malignant cellsNA

PSAT1

ENSG000001350691.992770.00e+000.00e+000.6720.086Malignant cellsNA

SRI

ENSG000000751421.928460.00e+000.00e+000.9890.72Malignant cellsNA

AKR1C2

ENSG000001516321.919630.00e+000.00e+0010.952Malignant cellsNA

CMAS

ENSG000001117261.847630.00e+000.00e+000.7360.317Malignant cellsNA

EFNA1

ENSG000001692421.84220.00e+000.00e+000.8710.428Malignant cellsNA

PI3

ENSG000001241021.832540.00e+000.00e+000.5980.252Malignant cellsNA

CPVL

ENSG000001060661.810790.00e+000.00e+000.6710Malignant cellsNA

VGLL2

ENSG000001701621.783330.00e+000.00e+000.5440.001Malignant cellsNA

MT-TP

ENSG000002101961.781610.00e+000.00e+000.6960.308Malignant cellsNA

WDR86-AS1

ENSG000002438361.769910.00e+000.00e+000.6020.002Malignant cellsNA

TRIB1

ENSG000001733341.742450.00e+000.00e+000.9950.673Malignant cellsNA

FOXQ1

ENSG000001643791.741880.00e+000.00e+000.690.236Malignant cellsNA

AC010343.1

NA1.699840.00e+000.00e+000.9610.602Malignant cellsNA

AP001324.1

NA1.690840.00e+000.00e+0010.887Malignant cellsNA

RPS18

ENSG000002233671.661590.00e+000.00e+0010.906Malignant cellsNA

EEF1A1

ENSG000001565081.661590.00e+000.00e+0010.999Malignant cellsNA

AL138826.1

NA1.652750.00e+000.00e+000.5780.159Malignant cellsNA

RPS10

ENSG000001246141.646160.00e+000.00e+000.9610.541Malignant cellsNA

GNAS

ENSG000000874601.610690.00e+000.00e+0010.921Malignant cellsNA

CD36

ENSG000001352181.603910.00e+000.00e+000.8720.494Malignant cellsNA

RPL39

ENSG000001989181.550920.00e+000.00e+000.9980.937Malignant cellsNA

CSTB

ENSG000001602131.549950.00e+000.00e+000.9970.957Malignant cellsNA

CKB

ENSG000001661651.53780.00e+000.00e+000.6530.184Malignant cellsNA

ECHDC1

ENSG000000931441.51910.00e+000.00e+000.8980.523Malignant cellsNA

IRS2

ENSG000001859501.465890.00e+000.00e+000.9230.57Malignant cellsNA

DUSP9

ENSG000001308291.462440.00e+000.00e+000.5530Malignant cellsNA

MT-CO3

ENSG000001989381.45330.00e+000.00e+0011Malignant cellsNA

RPS3A

ENSG000001454251.439770.00e+000.00e+000.9970.767Malignant cellsNA

RPL37P2

ENSG000002395591.437140.00e+000.00e+000.9830.783Malignant cellsNA

MARCKS

ENSG000002774431.437120.00e+000.00e+000.9850.759Malignant 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."