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: DB12267
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB12267 Brigatinib Thumb


9 known interactions (targets) of input drug (DB12267): Brigatinib
No. Gene UniProt ID Protein Name Pathway PDB
1 ABL1 P00519 Tyrosine-protein kinase ABL1 hsa04012; hsa04014; hsa04110; hsa04360; hsa04722; hsa05130; hsa05131; hsa05200; hsa05206; hsa05220; hsa05416
2 INSR P06213 Insulin receptor hsa04010; hsa04014; hsa04015; hsa04022; hsa04066; hsa04068; hsa04072; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04520; hsa04910; hsa04913; hsa04923; hsa04930; hsa04931; hsa04932; hsa04960
3 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
4 ERBB4 Q15303 Receptor tyrosine-protein kinase erbB-4 hsa04010; hsa04012; hsa04020; hsa04151; hsa05205 2AHX; 2L2T; 2LCX; 2R4B; 3BBT; 3BBW; 3BCE; 3U2P; 3U7U; 3U9U
5 IGF1R P08069 Insulin-like growth factor 1 receptor hsa01521; hsa01522; hsa04010; hsa04014; hsa04015; hsa04066; hsa04068; hsa04114; hsa04140; hsa04144; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04510; hsa04520; hsa04550; hsa04730; hsa04913; hsa04914; hsa05200; hsa05202; hsa05205; hsa05214; hsa05215; hsa05218; hsa05224; hsa05225 1IGR; 1JQH; 1K3A; 1M7N; 1P4O; 2OJ9; 2ZM3; 3D94; 3F5P; 3I81; 3LVP; 3LW0; 3NW5; 3NW6; 3NW7; 3O23; 3QQU; 4D2R; 4XSS
6 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
7 FLT3 P36888 Receptor-type tyrosine-protein kinase FLT3 hsa04010; hsa04014; hsa04151; hsa04640; hsa05200; hsa05202; hsa05221; hsa05230 1RJB; 3QS7; 3QS9; 4RT7; 4XUF
8 ALK Q9UM73 ALK tyrosine kinase receptor hsa05200; hsa05223
9 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


20 predicted interactions (targets) of input drug (DB12267): Brigatinib
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 43.8%
2 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 43.1%
3 BCR P11274 Breakpoint cluster region protein hsa05200; hsa05220 1K1F; 2AIN 34.5%
4 LCK P06239 Tyrosine-protein kinase Lck hsa04064; hsa04380; hsa04650; hsa04658; hsa04659; hsa04660; hsa05166; hsa05340 34.4%
5 RET P07949 Proto-oncogene tyrosine-protein kinase receptor Ret hsa05200; hsa05216; hsa05230 1XPD; 2IVS; 2IVT; 2IVU; 2IVV; 2X2K; 2X2L; 2X2M; 2X2U; 4CKI; 4CKJ; 4UX8 33.9%
6 ABL2 P42684 Abelson tyrosine-protein kinase 2 hsa04012; hsa04014; hsa05416 2ECD; 2KK1; 2XYN; 3GVU; 3HMI; 3ULR; 4EIH 33.7%
7 LYN P07948 Tyrosine-protein kinase Lyn hsa04062; hsa04064; hsa04611; hsa04662; hsa04664; hsa04666; hsa04730; hsa05120; hsa05167; hsa05169; hsa05203 1W1F; 1WA7; 3A4O 33.5%
8 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 33.5%
9 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 33.1%
10 CA2 P00918 Carbonic anhydrase 2 hsa00910; hsa04964; hsa04966; hsa04971; hsa04972; hsa04976
12CA; 1A42; 1AM6; 1AVN; 1BCD; 1BIC; 1BN1; 1BN3; 1BN4; 1BNM; 1BNN; 1BNQ; 1BNT; 1BNU; 1BNV; 1BNW; 1BV3; 1CA2; 1CA3; 1CAH; 1CAI; 1CAJ; 1CAK; 1CAL; 1CAM; 1CAN; 1CAO; 1CAY; 1CAZ; 1CCS; 1CCT; 1CCU; 1CIL; 1CIM; 1CIN; 1CNB; 1CNC; 1CNG; 1CNH; 1CNI; 1CNJ; 1CNK; 1CNW; 1CNX; 1CNY; 1CRA; 1CVA; 1CVB; 1CVC; 1CVD; 1CVE; 1CVF; 1CVH; 1DCA; 1DCB; 1EOU; 1F2W; 1FQL; 1FQM; 1FQN; 1FQR; 1FR4; 1FR7; 1FSN; 1FSQ; 1FSR; 1G0E; 1G0F; 1G1D; 1G3Z; 1G45; 1G46; 1G48; 1G4J; 1G4O; 1G52; 1G53; 1G54; 1H4N; 1H9N; 1H9Q; 1HCA; 1HEA; 1HEB; 1HEC; 1HED; 1HVA; 1I8Z; 1I90; 1I91; 1I9L; 1I9M; 1I9N; 1I9O; 1I9P; 1I9Q; 1IF4; 1IF5; 1IF6; 1IF7; 1IF8; 1IF9; 1KWQ; 1KWR; 1LG5; 1LG6; 1LGD; 1LUG; 1LZV; 1MOO; 1MUA; 1OKL; 1OKM; 1OKN; 1OQ5; 1RAY; 1RAZ; 1RZA; 1RZB; 1RZC; 1RZD; 1RZE; 1T9N; 1TB0; 1TBT; 1TE3; 1TEQ; 1TEU; 1TG3; 1TG9; 1TH9; 1THK; 1TTM; 1UGA; 1UGB; 1UGC; 1UGD; 1UGE; 1UGF; 1UGG; 1XEG; 1XEV; 1XPZ; 1XQ0; 1YDA; 1YDB; 1YDC; 1YDD; 1YO0; 1YO1; 1YO2; 1Z9Y; 1ZE8; 1ZFK; 1ZFQ; 1ZGE; 1ZGF; 1ZH9; 1ZSA; 1ZSB; 1ZSC; 2ABE; 2AW1; 2AX2; 2CA2; 2CBA; 2CBB; 2CBC; 2CBD; 2CBE; 2EU2; 2EU3; 2EZ7; 2F14; 2FMG; 2FMZ; 2FNK; 2FNM; 2FNN; 2FOQ; 2FOS; 2FOU; 2FOV; 2GD8; 2GEH; 2H15; 2H4N; 2HD6; 2HKK; 2HL4; 2HNC; 2HOC; 2ILI; 2NNG; 2NNO; 2NNS; 2NNV; 2NWO; 2NWP; 2NWY; 2NWZ; 2NXR; 2NXS; 2NXT; 2O4Z; 2OSF; 2OSM; 2POU; 2POV; 2POW; 2Q1B; 2Q1Q; 2Q38; 2QO8; 2QOA; 2QP6; 2VVA; 2VVB; 2WD2; 2WD3; 2WEG; 2WEH; 2WEJ; 2WEO; 2X7S; 2X7T; 2X7U; 3B4F; 3BET; 3BL0; 3BL1; 3C7P; 3CA2; 3CAJ; 3CYU; 3D8W; 3D92; 3D93; 3D9Z; 3DAZ; 3DBU; 3DC3; 3DC9; 3DCC; 3DCS; 3DCW; 3DD0; 3DD8; 3DV7; 3DVB; 3DVC; 3DVD; 3EFI; 3EFT; 3F4X; 3F8E; 3FFP; 3GZ0; 3HFP; 3HKN; 3HKQ; 3HKT; 3HKU; 3HLJ; 3HS4; 3IBI; 3IBL; 3IBN; 3IBU; 3IEO; 3IGP; 3K2F; 3K34; 3K7K; 3KIG; 3KKX; 3KNE; 3KOI; 3KOK; 3KON; 3KS3; 3KWA; 3L14; 3M04; 3M14; 3M1J; 3M1K; 3M1Q; 3M1W; 3M2N; 3M2X; 3M2Y; 3M2Z; 3M3X; 3M40; 3M5E; 3M5S; 3M5T; 3M67; 3M96; 3M98; 3MHC; 3MHI; 3MHL; 3MHM; 3MHO; 3ML2; 3MMF; 3MNA; 3MNH; 3MNI; 3MNJ; 3MNK; 3MNU; 3MWO; 3MYQ; 3MZC; 3N0N; 3N2P; 3N3J; 3N4B; 3NB5; 3NI5; 3NJ9; 3OIK; 3OIL; 3OIM; 3OKU; 3OKV; 3OY0; 3OYQ; 3OYS; 3P3H; 3P3J; 3P44; 3P4V; 3P55; 3P58; 3P5A; 3P5L; 3PJJ; 3PO6; 3PYK; 3QYK; 3R16; 3R17; 3RG3; 3RG4; 3RGE; 3RJ7; 3RLD; 3RYJ; 3RYV; 3RYX; 3RYY; 3RYZ; 3RZ0; 3RZ1; 3RZ5; 3RZ7; 3RZ8; 3S71; 3S72; 3S73; 3S74; 3S75; 3S76; 3S77; 3S78; 3S8X; 3S9T; 3SAP; 3SAX; 3SBH; 3SBI; 3T5U; 3T5Z; 3T82; 3T83; 3T84; 3T85; 3TMJ; 3TVN; 3TVO; 3U3A; 3U45; 3U47; 3U7C; 3V2J; 3V2M; 3V3F; 3V3G; 3V3H; 3V3I; 3V3J; 3V5G; 3V7X; 3VBD; 3ZP9; 4BCW; 4BF1; 4BF6; 4CA2; 4CAC; 4CQ0; 4DZ7; 4DZ9; 4E3D; 4E3F; 4E3G; 4E3H; 4E49; 4E4A; 4E5Q; 4FIK; 4FL7; 4FPT; 4FRC; 4FU5; 4FVN; 4FVO; 4G0C; 4GL1; 4HBA; 4HEW; 4HEY; 4HEZ; 4HF3; 4HT0; 4IDR; 4ILX; 4ITO; 4ITP; 4IWZ; 4JS6; 4JSA; 4JSS; 4JSW; 4JSZ; 4K0S; 4K0T; 4K0Z; 4K13; 4K1Q; 4KAP; 4KNI; 4KNJ; 4KUV; 4KUW; 4KUY; 4KV0; 4L5U; 4L5V; 4L5W; 4LHI; 4LP6; 4M2R; 4M2U; 4M2V; 4M2W; 4MDG; 4MDL; 4MDM; 4MLT; 4MLX; 4MO8; 4MTY; 4N0X; 4N16; 4PQ7; 4PXX; 4PYX; 4PYY; 4PZH; 4Q06; 4Q07; 4Q08; 4Q09; 4Q49; 4Q6D; 4Q6E; 4Q78; 4Q7P; 4Q7S; 4Q7V; 4Q7W; 4Q81; 4Q83; 4Q87; 4Q8X; 4Q8Y; 4Q8Z; 4Q90; 4Q99; 4Q9Y; 4QEF; 4QIY; 4QJM; 4QK1; 4QK2; 4QK3; 4QSA; 4QSB; 4QSI; 4QTL; 4QY3; 4R59; 4R5A; 4R5B; 4RFC; 4RFD; 4RH2; 4RIU; 4RIV; 4RN4; 4RUX; 4RUY; 4RUZ; 4WL4; 4WW6; 4XE1; 4Y0J; 4YGJ; 4YGK; 4YGL; 4YGN; 4YWP; 4Z0Q; 4Z1E; 4Z1J; 4Z1K; 4Z1N; 4ZAO; 4ZWI; 4ZWX; 4ZWY; 4ZWZ; 4ZX0; 4ZX1; 5AMD; 5AMG; 5AML; 5BNL; 5BRU; 5BRV; 5BRW; 5BYI; 5CA2; 5CAC; 5CLU; 5E2R; 6CA2; 7CA2; 8CA2; 9CA2
 32.1%
11 FGFR3 P22607 Fibroblast growth factor receptor 3 hsa01521; hsa04010; hsa04014; hsa04015; hsa04144; hsa04151; hsa04550; hsa04810; hsa05200; hsa05206; hsa05219; hsa05230 1RY7; 2LZL; 4K33 32.0%
12 KDR P35968 Vascular endothelial growth factor receptor 2 hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04370; hsa04510; hsa05205; hsa05418 27.6%
13 IL1B P01584 Interleukin-1 beta hsa01523; hsa04010; hsa04060; hsa04064; hsa04217; hsa04380; hsa04620; hsa04621; hsa04623; hsa04625; hsa04640; hsa04657; hsa04659; hsa04668; hsa04750; hsa04932; hsa04933; hsa04940; hsa05010; hsa05020; hsa05132; hsa05133; hsa05134; hsa05140; hsa05142; hsa05143; hsa05144; hsa05146; hsa05152; hsa05162; hsa05163; hsa05164; hsa05168; hsa05321; hsa05323; hsa05332; hsa05418 27.1%
14 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 26.5%
15 ACVR1B P36896 Activin receptor type-1B hsa04060; hsa04350; hsa04550 NA 26.0%
16 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 24.8%
17 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 24.7%
18 MAP3K2 Q9Y2U5 Mitogen-activated protein kinase kinase kinase 2 hsa04010; hsa04540; hsa04912 2CU1; 2NPT 24.4%
19 TNK2 Q07912 Activated CDC42 kinase 1 NA 1CF4; 1U46; 1U4D; 1U54; 3EQP; 3EQR; 4EWH; 4HZR; 4HZS; 4ID7 24.3%
20 PPARG P37231 Peroxisome proliferator-activated receptor gamma hsa03320; hsa04152; hsa04211; hsa04380; hsa04714; hsa05016; hsa05200; hsa05202; hsa05216
1FM6; 1FM9; 1I7I; 1K74; 1KNU; 1NYX; 1PRG; 1RDT; 1WM0; 1ZEO; 1ZGY; 2ATH; 2F4B; 2FVJ; 2G0G; 2G0H; 2GTK; 2HFP; 2HWQ; 2HWR; 2I4J; 2I4P; 2I4Z; 2OM9; 2P4Y; 2POB; 2PRG; 2Q59; 2Q5P; 2Q5S; 2Q61; 2Q6R; 2Q6S; 2Q8S; 2QMV; 2VSR; 2VST; 2VV0; 2VV1; 2VV2; 2VV3; 2VV4; 2XKW; 2YFE; 2ZK0; 2ZK1; 2ZK2; 2ZK3; 2ZK4; 2ZK5; 2ZK6; 2ZNO; 2ZVT; 3ADS; 3ADT; 3ADU; 3ADV; 3ADW; 3ADX; 3AN3; 3AN4; 3B0Q; 3B0R; 3B1M; 3B3K; 3BC5; 3CDP; 3CDS; 3CS8; 3CWD; 3D6D; 3DZU; 3DZY; 3E00; 3ET0; 3ET3; 3FEJ; 3FUR; 3G9E; 3GBK; 3H0A; 3HO0; 3HOD; 3IA6; 3K8S; 3KMG; 3LMP; 3NOA; 3OSI; 3OSW; 3PBA; 3PO9; 3PRG; 3QT0; 3R5N; 3R8A; 3R8I; 3S9S; 3SZ1; 3T03; 3TY0; 3U9Q; 3V9T; 3V9V; 3V9Y; 3VJH; 3VJI; 3VN2; 3VSO; 3VSP; 3WJ4; 3WJ5; 3WMH; 3X1H; 3X1I; 4A4V; 4A4W; 4CI5; 4E4K; 4E4Q; 4EM9; 4EMA; 4F9M; 4FGY; 4HEE; 4JAZ; 4JL4; 4L96; 4L98; 4O8F; 4OJ4; 4PRG; 4PVU; 4PWL; 4R2U; 4R6S; 4XLD; 4XTA; 4XUM; 4Y29
 24.2%


  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.