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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB00398
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00398 Sorafenib Thumb


10 known interactions (targets) of input drug (DB00398): Sorafenib
No. Gene UniProt ID Protein Name Pathway PDB
1 RAF1 P04049 RAF proto-oncogene serine/threonine-protein kinase hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04062; hsa04068; hsa04071; hsa04072; hsa04140; hsa04150; hsa04151; hsa04210; hsa04218; hsa04270; hsa04360; hsa04370; hsa04371; hsa04510; hsa04540; hsa04550; hsa04625; hsa04630; hsa04650; hsa04660; hsa04662; hsa04664; hsa04666; hsa04720; hsa04722; hsa04726; hsa04730; hsa04810; hsa04910; hsa04912; hsa04914; hsa04915; hsa04916; hsa04917; hsa04919; hsa04921; hsa04926; hsa04928; hsa05034; hsa05152; hsa05160; hsa05161; hsa05163; hsa05164; hsa05165; hsa05167; hsa05170; hsa05200; hsa05205; hsa05206; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231
2 FLT1 P17948 Vascular endothelial growth factor receptor 1 hsa04010; hsa04014; hsa04015; hsa04066; hsa04151; hsa04510; hsa05202; hsa05323 3WZE; 4ASD; 5HI2; 1FLT; 1QSV; 1QSZ; 1QTY; 1RV6; 2XAC; 3HNG; 4CKV; 4CL7
3 BRAF P15056 Serine/threonine-protein kinase B-raf hsa01521; hsa01522; hsa04010; hsa04012; hsa04015; hsa04024; hsa04062; hsa04068; hsa04150; hsa04270; hsa04510; hsa04650; hsa04720; hsa04722; hsa04726; hsa04730; hsa04810; hsa04910; hsa04914; hsa04928; hsa04934; hsa05034; hsa05160; hsa05200; hsa05205; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05216; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226
4 KIT P10721 Mast/stem cell growth factor receptor Kit hsa04010; hsa04014; hsa04015; hsa04072; hsa04151; hsa04640; hsa04916; hsa05200; hsa05221; hsa05224; hsa05230 3WZE; 4ASD; 1UWH; 1PKG; 1QZJ; 1QZK; 1R01; 1T45; 1T46; 2E9W; 2EC8; 2VIF; 3G0E; 3G0F; 4HVS; 4K94; 4K9E; 4PGZ; 4U0I
5 RET P07949 Proto-oncogene tyrosine-protein kinase receptor Ret hsa05200; hsa05216; hsa05230 3WZE; 4ASD; 1UWH; 1XPD; 2IVS; 2IVT; 2IVU; 2IVV; 2X2K; 2X2L; 2X2M; 2X2U; 4CKI; 4CKJ; 4UX8
6 FLT4 P35916 Vascular endothelial growth factor receptor 3 hsa04010; hsa04014; hsa04015; hsa04151; hsa04510; hsa05200; hsa05224 3WZE; 4ASD; 1UWH; 4BSJ; 4BSK
7 FLT3 P36888 Receptor-type tyrosine-protein kinase FLT3 hsa04010; hsa04014; hsa04151; hsa04640; hsa05200; hsa05202; hsa05221; hsa05230 3WZE; 4ASD; 5HI2; 1RJB; 3QS7; 3QS9; 4RT7; 4XUF
8 PDGFRB P09619 Platelet-derived growth factor receptor beta hsa01521; hsa04010; hsa04014; hsa04015; hsa04020; hsa04072; hsa04151; hsa04510; hsa04540; hsa04630; hsa04810; hsa05165; hsa05166; hsa05200; hsa05206; hsa05214; hsa05215; hsa05218; hsa05230; hsa05231 3WZE; 4ASD; 1UWH; 1GQ5; 1H9O; 1LWP; 1SHA; 2L6W; 2PLD; 2PLE; 3MJG
9 FGFR1 P11362 Fibroblast growth factor receptor 1 hsa04010; hsa04014; hsa04015; hsa04151; hsa04520; hsa04550; hsa04714; hsa04810; hsa04928; hsa05200; hsa05205; hsa05215; hsa05218; hsa05224; hsa05230
10 KDR P35968 Vascular endothelial growth factor receptor 2 hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04370; hsa04510; hsa05205; hsa05418


20 predicted interactions (targets) of input drug (DB00398): Sorafenib
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PDGFRA P16234 Platelet-derived growth factor receptor alpha hsa01521; hsa04010; hsa04014; hsa04015; hsa04020; hsa04072; hsa04144; hsa04151; hsa04510; hsa04540; hsa04630; hsa04810; hsa05163; hsa05166; hsa05200; hsa05206; hsa05214; hsa05215; hsa05218; hsa05230; hsa05231 1GQ5 62.9%
2 FGFR3 P22607 Fibroblast growth factor receptor 3 hsa01521; hsa04010; hsa04014; hsa04015; hsa04144; hsa04151; hsa04550; hsa04810; hsa05200; hsa05206; hsa05219; hsa05230 1RY7; 2LZL; 4K33 61.7%
3 FGFR2 P21802 Fibroblast growth factor receptor 2 hsa01521; hsa04010; hsa04014; hsa04015; hsa04144; hsa04151; hsa04550; hsa04810; hsa05200; hsa05215; hsa05226; hsa05230 46.0%
4 NTRK1 P04629 High affinity nerve growth factor receptor hsa04010; hsa04014; hsa04151; hsa04210; hsa04722; hsa04750; hsa05200; hsa05202; hsa05216; hsa05230 1HE7; 1SHC; 1WWA; 1WWW; 2IFG; 4AOJ; 4CRP; 4F0I; 4GT5; 4PMM; 4PMP; 4PMS; 4PMT; 4YNE; 4YPS 46.0%
5 CSF1R P07333 Macrophage colony-stimulating factor 1 receptor hsa04010; hsa04014; hsa04015; hsa04060; hsa04151; hsa04380; hsa04640; hsa05200; hsa05202; hsa05221 2I0V; 2I0Y; 2I1M; 2OGV; 3BEA; 3DPK; 3KRJ; 3KRL; 3LCD; 3LCO; 4DKD; 4HW7; 4LIQ; 4R7H; 4R7I; 4WRL; 4WRM 45.3%
6 ABL1 P00519 Tyrosine-protein kinase ABL1 hsa04012; hsa04014; hsa04110; hsa04360; hsa04722; hsa05130; hsa05131; hsa05200; hsa05206; hsa05220; hsa05416 42.7%
7 RET O43519 RET proto-oncogene NA NA 39.4%
8 FGFR4 P22455 Fibroblast growth factor receptor 4 hsa04010; hsa04014; hsa04015; hsa04144; hsa04151; hsa04550; hsa04810; hsa05200 1QCT; 4QQ5; 4QQC; 4QQJ; 4QQT; 4QRC; 4R6V; 4TYE; 4TYG; 4TYI; 4TYJ; 4UXQ; 4XCU 38.5%
9 FRK P42685 Tyrosine-protein kinase FRK NA NA 35.6%
10 MAPK11 Q15759 Mitogen-activated protein kinase 11 hsa01522; hsa04010; hsa04015; hsa04068; hsa04071; hsa04218; hsa04261; hsa04370; hsa04380; hsa04550; hsa04611; hsa04620; hsa04621; hsa04622; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04664; hsa04668; hsa04670; hsa04714; hsa04722; hsa04723; hsa04728; hsa04750; hsa04912; hsa04914; hsa04917; hsa04926; hsa04933; hsa05014; hsa05120; hsa05131; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05152; hsa05160; hsa05163; hsa05164; hsa05167; hsa05169; hsa05170; hsa05205; hsa05418 3GC8; 3GC9; 3GP0 35.0%
11 EPHA2 P29317 Ephrin type-A receptor 2 hsa04010; hsa04014; hsa04015; hsa04151; hsa04360 1MQB; 2E8N; 2K9Y; 2KSO; 2X10; 2X11; 3C8X; 3CZU; 3FL7; 3HEI; 3HPN; 3KKA; 3MBW; 3MX0; 3SKJ; 4P2K; 4PDO; 4TRL 34.6%
12 CSK P41240 Tyrosine-protein kinase CSK hsa05120 1BYG; 1CSK; 3D7T; 3D7U; 3EAC; 3EAZ 33.7%
13 LYN P07948 Tyrosine-protein kinase Lyn hsa04062; hsa04064; hsa04611; hsa04662; hsa04664; hsa04666; hsa04730; hsa05120; hsa05167; hsa05169; hsa05203 1W1F; 1WA7; 3A4O 32.2%
14 EPHB4 P54760 Ephrin type-B receptor 4 hsa04360 2BBA; 2E7H; 2HLE; 2QKQ; 2VWU; 2VWV; 2VWW; 2VWX; 2VWY; 2VWZ; 2VX0; 2VX1; 2X9F; 2XVD; 2YN8; 3ZEW; 4AW5; 4BB4 31.2%
15 DDR2 Q16832 Discoidin domain-containing receptor 2 NA 2WUH; 2Z4F 30.1%
16 TEK Q02763 Angiopoietin-1 receptor hsa04010; hsa04014; hsa04015; hsa04066; hsa04151; hsa05323 1FVR; 2GY5; 2GY7; 2OO8; 2OSC; 2P4I; 2WQB; 3BEA; 3L8P; 4K0V; 4X3J 30.0%
17 BCR P11274 Breakpoint cluster region protein hsa05200; hsa05220 1K1F; 2AIN 27.0%
18 DDR1 Q08345 Epithelial discoidin domain-containing receptor 1 NA 3ZOS; 4AG4; 4BKJ; 4CKR; 5BVK; 5BVN; 5BVO; 5BVW 26.7%
19 HCK P08631 Tyrosine-protein kinase HCK hsa04062; hsa04666; hsa05167 26.1%
20 FGF1 P05230 Fibroblast growth factor 1 hsa04010; hsa04014; hsa04015; hsa04151; hsa04390; hsa04810; hsa05200; hsa05218; hsa05224; hsa05226 24.4%


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Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.