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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: GSE164897_VemTra

Dataset summary for GSE164897_VemTra

Datast informationDatasetGSE164897_VemTra
PMID34591417
Raw data ID/linkPRJNA692421
OrganismHomo sapiens
SourceA375 cell line
TissueCell line
Cancer type level1Melanoma
Cancer type level2B+E2:E57RAFV600E-mutant melanoma
Regimenvemurafenib + trametinib
Drug typeTargeted therapy
Sample sizeresistant 1, sensitive 1
Cell number15718
Extract protocol10x genomics
Data processingCellRanger
Public datePublic on Jan 16, 2021
DescriptionThis dataset has 1 cell line with a sensitive pre-treatment sample and a resistant post-treatment sample.

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Drug summary for GSE164897_VemTra

Drug nameDrugBank IDDrug typeTargets nameTargets uniprot ID
"Vemurafenib"

DB08881

small moleculeBRAFP15056
"Trametinib"

DB08911

small moleculeMAP2K1; MAP2K2Q02750; P36507

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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
Umap of cell clustersboxplotCell ratio of drug-resistant and sensitive groups within each clusterboxplot

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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

COSMOC

ENSG000002605520.9668440.00e+000.00e+000.6630.307Malignant cellsNA

SUMO2

ENSG000001886120.9503690.00e+000.00e+000.9570.806Malignant cellsNA

RPL11

ENSG000001426760.9452420.00e+000.00e+0011Malignant cellsNA

SAT1

ENSG000001300660.9390660.00e+000.00e+000.6830.281Malignant cellsNA

COX7A2

ENSG000001126950.9355130.00e+000.00e+000.9980.972Malignant cellsNA

UQCR10

ENSG000001840760.9262870.00e+000.00e+000.8540.616Malignant cellsNA

MARCKS

ENSG000002774430.9238290.00e+000.00e+000.5040.029Malignant cellsNA

SHC1

ENSG000001606910.9231770.00e+000.00e+000.6180.203Malignant cellsNA

RPL30

ENSG000001564820.9077240.00e+000.00e+0011Malignant cellsNA

RPL14

ENSG000001888460.9043080.00e+000.00e+0011Malignant cellsNA

OST4

ENSG000002284740.848390.00e+000.00e+000.9960.968Malignant cellsNA

CTNNB1

ENSG000001680360.8440480.00e+000.00e+000.4640.14Malignant cellsNA

RPS12

ENSG000001123060.8421350.00e+000.00e+0011Malignant cellsNA

BASP1

ENSG000001767880.8420230.00e+000.00e+000.4640.017Malignant cellsNA

ERGIC3

ENSG000001259910.8394030.00e+000.00e+000.8740.667Malignant cellsNA

RPS7

ENSG000001718630.8273870.00e+000.00e+0011Malignant cellsNA

TMEM167A

ENSG000001746950.8267840.00e+000.00e+000.6910.401Malignant cellsNA

EIF3K

ENSG000002829860.8236780.00e+000.00e+000.9930.953Malignant cellsNA

TXNDC17

ENSG000001292350.8226920.00e+000.00e+000.870.704Malignant cellsNA

MLLT11

ENSG000002131900.8155350.00e+000.00e+000.5820.241Malignant cellsNA

SOX4

ENSG000001247660.8151570.00e+000.00e+000.4630.148Malignant cellsNA

PRDX1

ENSG000001174500.8136620.00e+000.00e+000.8830.774Malignant cellsNA

RPL27

ENSG000001314690.8130170.00e+000.00e+0011Malignant cellsNA

RBX1

ENSG000001003870.8026750.00e+000.00e+000.6380.346Malignant cellsNA

UBA52

ENSG000002219830.7966450.00e+000.00e+0011Malignant cellsNA

RPS4X

ENSG000001980340.7922770.00e+000.00e+0011Malignant cellsNA

UQCRH

ENSG000001736600.7869260.00e+000.00e+0011Malignant cellsNA

GAGE1

ENSG000002057770.7778150.00e+000.00e+000.4660.07Malignant cellsNA

HSPA8

ENSG000001099710.7672890.00e+000.00e+000.8390.589Malignant cellsNA

PCBP1

ENSG000001695640.7619150.00e+000.00e+000.6220.338Malignant cellsNA

AHNAK

ENSG000001249420.7580690.00e+000.00e+000.5550.215Malignant cellsNA

CSAG1

ENSG000001989300.7542080.00e+000.00e+000.710.495Malignant cellsNA

TOR1AIP2

ENSG000001699050.7531920.00e+000.00e+000.5270.199Malignant cellsNA

NOP10

ENSG000001821170.7524850.00e+000.00e+000.8650.708Malignant cellsNA

RPL10A

ENSG000001987550.7516520.00e+000.00e+0011Malignant cellsNA

COX6C

ENSG000001649190.7513930.00e+000.00e+000.9360.828Malignant cellsNA

RPL23

ENSG000001256910.75050.00e+000.00e+0011Malignant cellsNA

RPL17

ENSG000002656810.7480020.00e+000.00e+000.7230.512Malignant cellsNA

NCOA7

ENSG000001119120.7475540.00e+000.00e+000.4760.104Malignant cellsNA

NDUFB4

ENSG000000655180.7261390.00e+000.00e+000.7970.652Malignant cellsNA

COMMD6

ENSG000001882430.7258230.00e+000.00e+000.9060.769Malignant cellsNA

GNAS

ENSG000000874600.7255860.00e+000.00e+000.7770.53Malignant cellsNA

SERF2

ENSG000001402640.7107510.00e+000.00e+000.9990.991Malignant cellsNA

ATP1B1

ENSG000001431530.709830.00e+000.00e+000.4210.09Malignant cellsNA

MT-CO2

ENSG000001987120.7053370.00e+000.00e+0011Malignant cellsNA

MAGEA4

ENSG000001473810.7047620.00e+000.00e+000.8170.647Malignant cellsNA

MT-CO1

ENSG000001988040.7026570.00e+000.00e+0011Malignant cellsNA

TOMM7

ENSG000001966830.701730.00e+000.00e+000.9990.994Malignant cellsNA

B4GALT1

ENSG000000860620.695790.00e+000.00e+000.4060.095Malignant cellsNA

MRPS21

ENSG000002664720.6836490.00e+000.00e+000.9630.891Malignant 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 Pathway3.90e-062.00e-0514807818223467Malignant cellsBAX,CDK4,CTNNB1,DNMT1,DUSP6,GSTP1,HMGA1,HMGA2,HMGB1,PKM,MAP1LC3B,NFKB1,PARP1,RHOA,S100A4,SHC1,ST3GAL4,SOX4,STMN1,SLC25A5,AKAP12,ALDH1A3,ATG3,BAD,BID,BRD4,CCND1,CD44,HSPD1,CLTC,CAPNS1,DDIT3,EIF3A,HSP90B1,ERCC1,FTL,FUS,GAPDH,NR3C1,HSPA8,HSPB1,EIF4A1,IL24,KDM5B,LDHA,MTDH,MAGEA3,NQO1,PGK1,AGPAT2,POMP,PRKDC,PSMB5,PSMG2,RAC1,RAP1B,ERBB3,RRM2,HNRNPA1,SDHB,SMC4,SRI,SOX10,SRSF2,STAT3,TGFA,TGFB2,TMED3,TMEM54,TOP1,UBE2C,YBX1,ENO1,MAGEA4,GNAS,CALR,NPM1,EIF4EBP1,PPP3CA,PMVK,TRIB3,BIRC2
Drug Inactivation by Structure Modification2.40e-016.00e-01148027323467Malignant cellsGSTP1,GSS,NME1
Irregularity in Drug Uptake and Drug Efflux6.90e-011.00e+00148037223467Malignant cellsSLC3A2,SLC7A5
Aberration of the Drug's Therapeutic Target8.30e-011.00e+00148090423467Malignant cellsCDK4,NPM1,COMT,TOP2A
Epigenetic Alteration of DNA, RNA or Protein1.00e+001.00e+0014804551323467Malignant cellsDNMT1,EIF4G2,LMNA,TRIP6,PMAIP1,GAPDH,SMC4,TIMP1,MALAT1,GDI2,PPP1R15A,MT-CO2,NORAD


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
motifhdpi__TP735.090.0783TP73 (directAnnotation). Malignant cells
motifmetacluster_141.44.770.0751GLIS2 (directAnnotation). Malignant cells
motifswissregulon__hs__ETV64.220.0695ETV6 (directAnnotation). Malignant cells
motifhocomoco__TYY2_HUMAN.H11MO.0.D4.110.0683YY2 (directAnnotation). Malignant cells
motiftransfac_pro__M061354.070.068ZNF28 (directAnnotation). Malignant cells
motifmetacluster_141.64.010.0673MZF1; TAF1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY2; YY2; ZFP42; ZFP42; ZFP42; ZFP42; ZFP42; ZFP42; ZNF597 (directAnnotation). TAF1; TAF1L (inferredBy_Orthology). Malignant cells
motifflyfactorsurvey__pho_SOLEXA_F1-33.810.0653YY1 (inferredBy_Orthology). Malignant cells
motiftaipale_tf_pairs__ETV5_HOXA2_RSCGGWAATKR_CAP3.540.0626ETV5; HOXA2 (directAnnotation). Malignant cells
motifmetacluster_155.33.470.0619PLAG1 (directAnnotation). PLAG1 (inferredBy_Orthology). Malignant cells
motiftaipale_tf_pairs__ELK1_TEF_NSCGGAWNTTACGTAAN_CAP3.270.0598ELK1; TEF (directAnnotation). Malignant cells
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Motifs and TFs regulating down-regulated DEGs in resistant group
motifmotifNESAUCTF_highConfCell_type
motiftaipale_tf_pairs__ETS2_RCCGGAAGTG_HT8.660.0737ETS2 (directAnnotation). Malignant cells
motiftransfac_pro__M048267.510.0667EP300 (directAnnotation). Malignant cells
motifjaspar__MA1483.26.570.061ELF2 (directAnnotation). Malignant cells
motifhdpi__FLI16.320.0595FLI1 (directAnnotation). Malignant cells
motifmetacluster_191.36.250.0591EHF; ELF1; ELF1; ELF1; ELF4; ELK1; ELK3; ELK3; ELK4; ELK4; ERF; ETS1; ETS2; ETV3; ETV4; ETV5; FEV; FEV; FLI1; FLI1; GABPA; GABPA; GABPA; GABPA; GABPA; GABPA; SPDEF; ZNF200 (directAnnotation). ELK1; ELK1; ELK3; ELK3; ELK4; ELK4; ETV1; ETV1; ETV4; ETV4; ETV4; ETV5; GABPA; GABPA (inferredBy_Orthology). Malignant cells
motifmetacluster_191.26.150.0584ELK4; NR2C2; NR2C2; NR2C2; NR2C2 (directAnnotation). GABPA (inferredBy_Orthology). Malignant cells
motifmetacluster_166.25.860.0567ELK4; ETS1; ETS1; ETV1; ETV3; ETV4; ETV5; ETV7 (directAnnotation). GABPA (inferredBy_Orthology). Malignant cells
motiftaipale_tf_pairs__ELF2_NATGCGGAAGTR_HT5.760.0561ELF2 (directAnnotation). Malignant cells
motifmetacluster_166.45.730.0559BCLAF1; EHF; ELF1; ELF1; ELF1; ELF1; ELF1; ELF1; ELF2; ELF2; ELF4; ELK1; ELK1; ELK1; ELK1; ELK1; ELK1; ELK1; ELK1; ELK1; ELK3; ELK3; ELK3; ELK3; ELK4; ERG; ERG; ERG; ERG; ETS1; ETS1; ETS1; ETS1; ETS1; ETV1; ETV1; ETV1; ETV1; ETV2; ETV3; ETV4; ETV4; ETV4; ETV4; ETV4; ETV5; ETV7; FEV; FEV; FLI1; FLI1; FLI1; FLI1; GABPA; GABPA; GABPA; GABPA; GABPA; GABPA; GABPB1; GATAD1; PHF20; ZBTB25; ZBTB40 (directAnnotation). EHF; ELF1; ELF1; ELF3; ELF5; ELK3; ELK4; ERG; ETS1; ETV1; ETV2; ETV4; FLI1; GABPA; GABPA (inferredBy_Orthology). Malignant cells
motifjaspar__MA1933.15.610.0551SREBF2 (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

ETV4

metacluster_191.3downMalignant cellsNA

ETV4

metacluster_166.2downMalignant cellsNA

ETV4

metacluster_166.4downMalignant cellsNA

ETV4

taipale_tf_pairs__HOXB2_ETV4_ACCGGAAATGAN_CAPdownMalignant cellsNA

ETV4

hdpi__ETV4downMalignant cellsNA

ETV4

taipale_tf_pairs__FOXO1_ETV4_RCCGGAWGTKKN_CAPdownMalignant cellsNA

ETV4

metacluster_138.2downMalignant cellsNA

ETV4

taipale_tf_pairs__HOXB2_ETV4_ACCGGAAATGAN_CAPdownMalignant cellsNA

ETV4

taipale_tf_pairs__GCM1_ETV4_RTGCGGGCGGAAGTR_CAPdownMalignant 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."