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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: DB12742
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB12742 Amuvatinib Thumb


6 known interactions (targets) of input drug (DB12742): Amuvatinib
No. Gene UniProt ID Protein Name Pathway PDB
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
2 RAD51 Q06609 DNA repair protein RAD51 homolog 1 hsa03440; hsa03460; hsa05200; hsa05212 1B22; 1N0W
3 MET P08581 Hepatocyte growth factor receptor hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04360; hsa04510; hsa04520; hsa05100; hsa05120; hsa05144; hsa05200; hsa05202; hsa05205; hsa05206; hsa05211; hsa05218; hsa05225; hsa05226; hsa05230
4 RET P07949 Proto-oncogene tyrosine-protein kinase receptor Ret hsa05200; hsa05216; hsa05230 1XPD; 2IVS; 2IVT; 2IVU; 2IVV; 2X2K; 2X2L; 2X2M; 2X2U; 4CKI; 4CKJ; 4UX8
5 KIT P10721 Mast/stem cell growth factor receptor Kit hsa04010; hsa04014; hsa04015; hsa04072; hsa04151; hsa04640; hsa04916; hsa05200; hsa05221; hsa05224; hsa05230 1PKG; 1QZJ; 1QZK; 1R01; 1T45; 1T46; 2E9W; 2EC8; 2VIF; 3G0E; 3G0F; 4HVS; 4K94; 4K9E; 4PGZ; 4U0I
6 FLT3 P36888 Receptor-type tyrosine-protein kinase FLT3 hsa04010; hsa04014; hsa04151; hsa04640; hsa05200; hsa05202; hsa05221; hsa05230 1RJB; 3QS7; 3QS9; 4RT7; 4XUF


20 predicted interactions (targets) of input drug (DB12742): Amuvatinib
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 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 1GQ5; 1H9O; 1LWP; 1SHA; 2L6W; 2PLD; 2PLE; 3MJG 59.2%
2 KDR P35968 Vascular endothelial growth factor receptor 2 hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04370; hsa04510; hsa05205; hsa05418 50.2%
3 FLT4 P35916 Vascular endothelial growth factor receptor 3 hsa04010; hsa04014; hsa04015; hsa04151; hsa04510; hsa05200; hsa05224 4BSJ; 4BSK 48.3%
4 FLT1 P17948 Vascular endothelial growth factor receptor 1 hsa04010; hsa04014; hsa04015; hsa04066; hsa04151; hsa04510; hsa05202; hsa05323 1FLT; 1QSV; 1QSZ; 1QTY; 1RV6; 2XAC; 3HNG; 4CKV; 4CL7 42.7%
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 41.8%
6 ABL1 P00519 Tyrosine-protein kinase ABL1 hsa04012; hsa04014; hsa04110; hsa04360; hsa04722; hsa05130; hsa05131; hsa05200; hsa05206; hsa05220; hsa05416 38.3%
7 FGFR3 P22607 Fibroblast growth factor receptor 3 hsa01521; hsa04010; hsa04014; hsa04015; hsa04144; hsa04151; hsa04550; hsa04810; hsa05200; hsa05206; hsa05219; hsa05230 1RY7; 2LZL; 4K33 34.9%
8 GSK3B P49841 Glycogen synthase kinase-3 beta hsa01521; hsa04012; hsa04062; hsa04110; hsa04150; hsa04151; hsa04310; hsa04340; hsa04360; hsa04390; hsa04510; hsa04550; hsa04657; hsa04660; hsa04662; hsa04722; hsa04728; hsa04910; hsa04916; hsa04917; hsa04919; hsa04931; hsa04932; hsa04934; hsa05010; hsa05160; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05169; hsa05200; hsa05210; hsa05213; hsa05215; hsa05217; hsa05224; hsa05225; hsa05226 33.4%
9 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 32.9%
10 FGFR1 P11362 Fibroblast growth factor receptor 1 hsa04010; hsa04014; hsa04015; hsa04151; hsa04520; hsa04550; hsa04714; hsa04810; hsa04928; hsa05200; hsa05205; hsa05215; hsa05218; hsa05224; hsa05230 32.8%
11 DTYMK P23919 Thymidylate kinase hsa00240; hsa01100 32.3%
12 TEK Q02763 Angiopoietin-1 receptor hsa04010; hsa04014; hsa04015; hsa04066; hsa04151; hsa05323 1FVR; 2GY5; 2GY7; 2OO8; 2OSC; 2P4I; 2WQB; 3BEA; 3L8P; 4K0V; 4X3J 31.3%
13 GRIA2 P42262 Glutamate receptor 2 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05030; hsa05031; hsa05033 2WJW; 2WJX; 2XHD; 3R7X; 3RN8; 3RNN; 3UA8 27.1%
14 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 27.0%
15 FGFR2 P21802 Fibroblast growth factor receptor 2 hsa01521; hsa04010; hsa04014; hsa04015; hsa04144; hsa04151; hsa04550; hsa04810; hsa05200; hsa05215; hsa05226; hsa05230 26.5%
16 CACNA1D Q01668 Voltage-dependent L-type calcium channel subunit alpha-1D hsa04010; hsa04020; hsa04022; hsa04024; hsa04218; hsa04260; hsa04261; hsa04270; hsa04530; hsa04713; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04930; hsa04934; hsa04973; hsa05010; hsa05031; hsa05410; hsa05412; hsa05414 3LV3 25.4%
17 FRK P42685 Tyrosine-protein kinase FRK NA NA 25.2%
18 PTK6 Q13882 Protein-tyrosine kinase 6 NA 1RJA; 2KGT 25.0%
19 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 24.7%
20 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 1C1Y; 1FAQ; 1FAR; 1GUA; 1RFA; 3CU8; 3IQJ; 3IQU; 3IQV; 3KUC; 3KUD; 3NKX; 3O8I; 3OMV; 4FJ3; 4G0N; 4G3X; 4IEA; 4IHL 24.5%


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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.