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: DB01283
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB01283 Lumiracoxib Thumb


2 known interactions (targets) of input drug (DB01283): Lumiracoxib
No. Gene UniProt ID Protein Name Pathway PDB
1 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 4OTY; 4RRX; 4RRW;
2 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 4OTY; 4RRW; 4RRX; 1V0X


20 predicted interactions (targets) of input drug (DB01283): Lumiracoxib
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 24.9%
2 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
 23.6%
3 PTGDR2 Q9Y5Y4 Prostaglandin D2 receptor 2 NA NA 20.6%
4 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 20.4%
5 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 20.0%
6 KCNQ2 O43526 Potassium voltage-gated channel subfamily KQT member 2 hsa04725 NA 17.6%
7 AKR1C1 Q04828 Aldo-keto reductase family 1 member C1 hsa00140; hsa00980 1MRQ; 3C3U; 3GUG; 3NTY 17.4%
8 PPARD Q03181 Peroxisome proliferator-activated receptor delta hsa03320; hsa04310; hsa05200; hsa05221 16.5%
9 SLC7A11 Q9UPY5 Cystine/glutamate transporter hsa04216 NA 15.6%
10 PTGR2 Q8N8N7 Prostaglandin reductase 2 NA 2VNA; 2W4Q; 2W98; 2ZB4; 2ZB7; 2ZB8 15.4%
11 CXCR1 P25024 C-X-C chemokine receptor type 1 hsa04060; hsa04062; hsa04072; hsa04144; hsa05120 1ILP; 1ILQ; 2LNL 14.9%
12 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 14.5%
13 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 14.2%
14 PLA2G2A P14555 Phospholipase A2, membrane associated hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 1AYP; 1BBC; 1DB4; 1DB5; 1DCY; 1J1A; 1KQU; 1KVO; 1N28; 1N29; 1POD; 1POE; 2GNY; 3U8B; 3U8D; 3U8H; 3U8I 14.2%
15 TBXAS1 P24557 Thromboxane-A synthase hsa00590; hsa01100; hsa04611 NA 14.2%
16 TOP2A P11388 DNA topoisomerase 2-alpha hsa01524 1LWZ; 1ZXM; 1ZXN; 4FM9; 4R1F 14.1%
17 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 13.4%
18 AKR1C3 P42330 Aldo-keto reductase family 1 member C3 hsa00140; hsa00590; hsa00790; hsa01100; hsa04913 13.2%
19 LTF P02788 Lactotransferrin NA 12.1%
20 CHUK O15111 Inhibitor of nuclear factor kappa-B kinase subunit alpha hsa01523; hsa04010; hsa04014; hsa04062; hsa04064; hsa04068; hsa04150; hsa04151; hsa04210; hsa04380; hsa04620; hsa04621; hsa04622; hsa04623; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04668; hsa04920; hsa05120; hsa05131; hsa05142; hsa05145; hsa05160; hsa05161; hsa05162; hsa05163; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05212; hsa05215; hsa05220; hsa05221; hsa05222; hsa05418 3BRT 11.7%


  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.