QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: DB05294
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB05294 Vandetanib Thumb


5 known interactions (targets) of input drug (DB05294): Vandetanib
No. Gene UniProt ID Protein Name Pathway PDB
1 RET P07949 Proto-oncogene tyrosine-protein kinase receptor Ret hsa05200; hsa05216; hsa05230 1XPD; 2IVS; 2IVT; 2IVU; 2IVV; 2X2K; 2X2L; 2X2M; 2X2U; 4CKI; 4CKJ; 4UX8
2 EGFR P00533 Epidermal growth factor receptor hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04020; hsa04066; hsa04068; hsa04072; hsa04144; hsa04151; hsa04510; hsa04520; hsa04540; hsa04630; hsa04810; hsa04912; hsa04915; hsa04921; hsa04926; hsa04928; hsa04934; hsa05120; hsa05160; hsa05163; hsa05165; hsa05200; hsa05205; hsa05206; hsa05210; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05219; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231
3 TEK Q02763 Angiopoietin-1 receptor hsa04010; hsa04014; hsa04015; hsa04066; hsa04151; hsa05323 1FVR; 2GY5; 2GY7; 2OO8; 2OSC; 2P4I; 2WQB; 3BEA; 3L8P; 4K0V; 4X3J
4 PTK6 Q13882 Protein-tyrosine kinase 6 NA 1RJA; 2KGT
5 VEGFA P15692 Vascular endothelial growth factor A hsa01521; hsa04010; hsa04014; hsa04015; hsa04066; hsa04151; hsa04370; hsa04510; hsa04926; hsa04933; hsa05163; hsa05165; hsa05167; hsa05200; hsa05205; hsa05206; hsa05211; hsa05212; hsa05219; hsa05323; hsa05418


20 predicted interactions (targets) of input drug (DB05294): Vandetanib
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 42.1%
2 KDR P35968 Vascular endothelial growth factor receptor 2 hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04370; hsa04510; hsa05205; hsa05418 37.9%
3 FLT4 P35916 Vascular endothelial growth factor receptor 3 hsa04010; hsa04014; hsa04015; hsa04151; hsa04510; hsa05200; hsa05224 4BSJ; 4BSK 35.9%
4 PTGS2 P35354 Prostaglandin G/H synthase 2 hsa00590; hsa01100; hsa04064; hsa04370; hsa04625; hsa04657; hsa04668; hsa04723; hsa04726; hsa04913; hsa04921; hsa04923; hsa05140; hsa05163; hsa05165; hsa05167; hsa05200; hsa05204; hsa05206; hsa05222 1V0X 35.0%
5 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 33.3%
6 LYN P07948 Tyrosine-protein kinase Lyn hsa04062; hsa04064; hsa04611; hsa04662; hsa04664; hsa04666; hsa04730; hsa05120; hsa05167; hsa05169; hsa05203 1W1F; 1WA7; 3A4O 28.5%
7 ABL1 P00519 Tyrosine-protein kinase ABL1 hsa04012; hsa04014; hsa04110; hsa04360; hsa04722; hsa05130; hsa05131; hsa05200; hsa05206; hsa05220; hsa05416 27.5%
8 HCK P08631 Tyrosine-protein kinase HCK hsa04062; hsa04666; hsa05167 27.1%
9 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 26.1%
10 DDR2 Q16832 Discoidin domain-containing receptor 2 NA 2WUH; 2Z4F 25.3%
11 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 25.2%
12 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 24.4%
13 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 24.2%
14 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 24.2%
15 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 23.9%
16 FRK P42685 Tyrosine-protein kinase FRK NA NA 22.9%
17 CAMK2G Q13555 Calcium/calmodulin-dependent protein kinase type II subunit gamma hsa04012; hsa04020; hsa04024; hsa04066; hsa04114; hsa04217; hsa04261; hsa04310; hsa04360; hsa04713; hsa04720; hsa04722; hsa04725; hsa04728; hsa04740; hsa04750; hsa04911; hsa04912; hsa04916; hsa04921; hsa04922; hsa04925; hsa04934; hsa04971; hsa05031; hsa05152; hsa05200; hsa05205; hsa05214 2UX0; 2V7O 22.5%
18 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 21.8%
19 MAP2K1 Q02750 Dual specificity mitogen-activated protein kinase kinase 1 hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04062; hsa04066; hsa04068; hsa04071; hsa04072; hsa04114; hsa04140; hsa04150; hsa04151; hsa04210; hsa04218; hsa04270; hsa04370; hsa04371; hsa04380; hsa04510; hsa04540; hsa04550; hsa04620; hsa04650; hsa04660; hsa04662; hsa04664; hsa04666; hsa04668; hsa04720; hsa04722; hsa04725; hsa04726; hsa04730; hsa04810; hsa04910; hsa04912; hsa04914; hsa04915; hsa04916; hsa04917; hsa04919; hsa04921; hsa04926; hsa04928; hsa04934; hsa05020; hsa05034; hsa05161; hsa05163; hsa05164; hsa05165; hsa05167; hsa05170; hsa05200; hsa05205; hsa05206; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05216; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 21.1%
20 ERBB2 P04626 Receptor tyrosine-protein kinase erbB-2 hsa01521; hsa01522; hsa01524; hsa04010; hsa04012; hsa04020; hsa04066; hsa04151; hsa04510; hsa04520; hsa04530; hsa05200; hsa05205; hsa05206; hsa05212; hsa05213; hsa05215; hsa05219; hsa05223; hsa05224; hsa05226; hsa05230 21.1%


  logl

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.