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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: DB04552
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB04552 Niflumic Acid Thumb


6 known interactions (targets) of input drug (DB04552): Niflumic Acid
No. Gene UniProt ID Protein Name Pathway PDB
1 CLCNKA P51800 Chloride channel protein ClC-Ka NA 2PFI
2 UGT1A9 O60656 UDP-glucuronosyltransferase 1-9 hsa00040; hsa00053; hsa00140; hsa00830; hsa00860; hsa00980; hsa00982; hsa00983; hsa01100; hsa05204 NA
3 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA
4 PLA2G1B P04054 Phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 1TD7; 1YSK; 3ELO
5 PLA2G4A P47712 Cytosolic phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04010; hsa04014; hsa04072; hsa04217; hsa04270; hsa04370; hsa04611; hsa04664; hsa04666; hsa04724; hsa04726; hsa04730; hsa04750; hsa04912; hsa04913; hsa04921; hsa05231 1BCI; 1CJY; 1RLW
6 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


20 predicted interactions (targets) of input drug (DB04552): Niflumic Acid
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PPARD Q03181 Peroxisome proliferator-activated receptor delta hsa03320; hsa04310; hsa05200; hsa05221 33.4%
2 ADRB2 P07550 Beta-2 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04923; hsa04924; hsa04970 1GQ4; 2R4R; 2R4S; 2RH1; 3D4S; 3KJ6; 3NY8; 3NY9; 3NYA; 3P0G; 3PDS; 3SN6; 4GBR; 4LDE; 4LDL; 4LDO; 4QKX 32.3%
3 PPARA Q07869 Peroxisome proliferator-activated receptor alpha hsa03320; hsa04024; hsa04920; hsa04922; hsa04931; hsa04932; hsa05160 1I7G; 1K7L; 1KKQ; 2NPA; 2P54; 2REW; 2ZNN; 3ET1; 3FEI; 3G8I; 3KDT; 3KDU; 3SP6; 3VI8; 4BCR; 4CI4 29.7%
4 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR 29.3%
5 F2 P00734 Prothrombin hsa04080; hsa04610; hsa04810
1A2C; 1A3B; 1A3E; 1A46; 1A4W; 1A5G; 1A61; 1ABI; 1ABJ; 1AD8; 1AE8; 1AFE; 1AHT; 1AI8; 1AIX; 1AWF; 1AWH; 1AY6; 1B5G; 1B7X; 1BA8; 1BB0; 1BCU; 1BHX; 1BMM; 1BMN; 1BTH; 1C1U; 1C1V; 1C1W; 1C4U; 1C4V; 1C4Y; 1C5L; 1C5N; 1C5O; 1CA8; 1D3D; 1D3P; 1D3Q; 1D3T; 1D4P; 1D6W; 1D9I; 1DE7; 1DIT; 1DM4; 1DOJ; 1DWB; 1DWC; 1DWD; 1DWE; 1DX5; 1E0F; 1EB1; 1EOJ; 1EOL; 1FPC; 1FPH; 1G30; 1G32; 1G37; 1GHV; 1GHW; 1GHX; 1GHY; 1GJ4; 1GJ5; 1H8D; 1H8I; 1HAG; 1HAH; 1HAI; 1HAO; 1HAP; 1HBT; 1HDT; 1HGT; 1HLT; 1HUT; 1HXE; 1HXF; 1IHS; 1IHT; 1JMO; 1JOU; 1JWT; 1K21; 1K22; 1KTS; 1KTT; 1LHC; 1LHD; 1LHE; 1LHF; 1LHG; 1MH0; 1MU6; 1MU8; 1MUE; 1NM6; 1NO9; 1NRN; 1NRO; 1NRP; 1NRQ; 1NRR; 1NRS; 1NT1; 1NU7; 1NU9; 1NY2; 1NZQ; 1O0D; 1O2G; 1O5G; 1OOK; 1OYT; 1P8V; 1PPB; 1QBV; 1QHR; 1QJ1; 1QJ6; 1QJ7; 1QUR; 1RD3; 1RIW; 1SB1; 1SFQ; 1SG8; 1SGI; 1SHH; 1SL3; 1SR5; 1T4U; 1T4V; 1TA2; 1TA6; 1TB6; 1TBZ; 1THP; 1THR; 1THS; 1TMB; 1TMT; 1TMU; 1TOM; 1TQ0; 1TQ7; 1TWX; 1UMA; 1UVS; 1VR1; 1VZQ; 1W7G; 1WAY; 1WBG; 1XM1; 1XMN; 1YPE; 1YPG; 1YPJ; 1YPK; 1YPL; 1YPM; 1Z71; 1Z8I; 1Z8J; 1ZGI; 1ZGV; 1ZRB; 2A0Q; 2A2X; 2A45; 2AFQ; 2ANK; 2ANM; 2B5T; 2BDY; 2BVR; 2BVS; 2BVX; 2BXT; 2BXU; 2C8W; 2C8X; 2C8Y; 2C8Z; 2C90; 2C93; 2CF8; 2CF9; 2CN0; 2FEQ; 2FES; 2GDE; 2GP9; 2H9T; 2HGT; 2HNT; 2HPP; 2HPQ; 2HWL; 2JH0; 2JH5; 2JH6; 2OD3; 2PGB; 2PGQ; 2PKS; 2PW8; 2R2M; 2THF; 2UUF; 2UUJ; 2UUK; 2V3H; 2V3O; 2ZC9; 2ZDA; 2ZDV; 2ZF0; 2ZFF; 2ZFP; 2ZFQ; 2ZFR; 2ZG0; 2ZGB; 2ZGX; 2ZHE; 2ZHF; 2ZHQ; 2ZHW; 2ZI2; 2ZIQ; 2ZNK; 2ZO3; 3B23; 3B9F; 3BEF; 3BEI; 3BF6; 3BIU; 3BIV; 3BV9; 3C1K; 3C27; 3D49; 3DA9; 3DD2; 3DHK; 3DT0; 3DUX; 3E6P; 3EE0; 3EGK; 3EQ0; 3F68; 3GIC; 3GIS; 3HAT; 3HKJ; 3HTC; 3JZ1; 3JZ2; 3K65; 3LDX; 3LU9; 3NXP; 3P17; 3P6Z; 3P70; 3PMH; 3PO1; 3QDZ; 3QGN; 3QLP; 3QTO; 3QTV; 3QWC; 3QX5; 3R3G; 3RLW; 3RLY; 3RM0; 3RM2; 3RML; 3RMM; 3RMN; 3RMO; 3S7H; 3S7K; 3SHA; 3SHC; 3SI3; 3SI4; 3SQE; 3SQH; 3SV2; 3T5F; 3TU7; 3U69; 3U8O; 3U8R; 3U8T; 3U98; 3U9A; 3UTU; 3UWJ; 3VXE; 3VXF; 4AX9; 4AYV; 4AYY; 4AZ2; 4BAH; 4BAK; 4BAM; 4BAN; 4BAO; 4BAQ; 4BOH; 4CH2; 4CH8; 4DIH; 4DII; 4DT7; 4DY7; 4E05; 4E06; 4E7R; 4H6S; 4H6T; 4HFP; 4HTC; 4HZH; 4I7Y; 4LOY; 4LXB; 4LZ1; 4LZ4; 4MLF; 4N3L; 4NZE; 4NZQ; 4O03; 4RKJ; 4RKO; 4RN6; 4THN; 4UD9; 4UDW; 4UE7; 4UEH; 4YES; 5AF9; 5AFY; 5AFZ; 5AHG; 5E8E; 5GDS; 7KME; 8KME
 27.9%
6 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 27.8%
7 NOS3 P29474 Nitric oxide synthase, endothelial hsa00220; hsa00330; hsa01100; hsa04020; hsa04022; hsa04066; hsa04071; hsa04151; hsa04370; hsa04371; hsa04611; hsa04915; hsa04921; hsa04926; hsa04931; hsa04933; hsa05418 1M9J; 1M9K; 1M9M; 1M9Q; 1M9R; 1NIW; 2LL7; 2MG5; 3EAH; 3NOS; 4D1O; 4D1P 26.9%
8 GSTM4 Q03013 Glutathione S-transferase Mu 4 hsa00480; hsa00980; hsa00982; hsa00983; hsa01524; hsa05200; hsa05204; hsa05225; hsa05418 4GTU 24.8%
9 CELA1 Q9UNI1 Chymotrypsin-like elastase family member 1 NA NA 24.0%
10 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 23.1%
11 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
 21.8%
12 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 21.4%
13 ODC1 P11926 Ornithine decarboxylase hsa00330; hsa00480; hsa01100 1D7K; 2ON3; 2OO0; 4ZGY 21.0%
14 ACSL4 O60488 Long-chain-fatty-acid--CoA ligase 4 hsa00061; hsa00071; hsa01100; hsa01212; hsa03320; hsa04146; hsa04216; hsa04714; hsa04920 NA 20.6%
15 RXRB P28702 Retinoic acid receptor RXR-beta hsa03320; hsa04659; hsa04919; hsa04920; hsa04928; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 1H9U; 1UHL 20.1%
16 ADORA2B P29275 Adenosine receptor A2b hsa04015; hsa04020; hsa04080; hsa04270; hsa05034 NA 19.5%
17 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 19.4%
18 CA3 P07451 Carbonic anhydrase 3 hsa00910 1Z93; 1Z97; 2HFW; 3UYN; 3UYQ 19.3%
19 DPP4 P27487 Dipeptidyl peptidase 4 hsa04974 19.3%
20 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 19.3%


  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.