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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: DB00471
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved SmallMoleculeDrug DB00471 Montelukast Thumb


2 known interactions (targets) of input drug (DB00471): Montelukast
No. Gene UniProt ID Protein Name Pathway PDB
1 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99
2 CYSLTR1 Q9Y271 Cysteinyl leukotriene receptor 1 hsa04020; hsa04080 NA


20 predicted interactions (targets) of input drug (DB00471): Montelukast
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 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 25.7%
2 CYSLTR2 Q9NS75 Cysteinyl leukotriene receptor 2 hsa04020; hsa04080 NA 25.2%
3 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 18.7%
4 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 18.3%
5 P2RY12 Q9H244 P2Y purinoceptor 12 hsa04611 1T78; 1VZ1; 1Y9C; 4NTJ; 4PXZ; 4PY0 17.0%
6 A2M P01023 Alpha-2-macroglobulin hsa04610 1BV8; 2P9R; 4ACQ 16.7%
7 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 16.3%
8 GGPS1 O95749 Geranylgeranyl pyrophosphate synthase hsa00900; hsa01100 2Q80 16.1%
9 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 16.0%
10 NR1H2 P55055 Oxysterols receptor LXR-beta hsa04931 1P8D; 1PQ6; 1PQ9; 1PQC; 1UPV; 1UPW; 3KFC; 3L0E; 4DK7; 4DK8; 4NQA; 4RAK 15.3%
11 APP P05067 Amyloid beta A4 protein hsa04726; hsa05010 14.2%
12 HRH3 Q9Y5N1 Histamine H3 receptor hsa04080 NA 14.2%
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 13.9%
14 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 13.5%
15 ELANE P08246 Neutrophil elastase hsa05202; hsa05322 1B0F; 1H1B; 1HNE; 1PPF; 1PPG; 2RG3; 2Z7F; 3Q76; 3Q77; 4NZL; 4WVP; 5A09; 5A0A; 5A0B; 5A0C; 5ABW 13.3%
16 NQO2 P16083 Ribosyldihydronicotinamide dehydrogenase [quinone] NA 13.3%
17 TBXA2R P21731 Thromboxane A2 receptor hsa04020; hsa04080; hsa04611 1LBN 13.2%
18 CD2 P06729 T-cell surface antigen CD2 hsa04514; hsa04640 1CDB; 1GYA; 1HNF; 1L2Z; 1QA9; 2J6O; 2J7I 13.2%
19 FCGR1A P12314 High affinity immunoglobulin gamma Fc receptor I hsa04145; hsa04380; hsa04640; hsa04666; hsa05140; hsa05150; hsa05152; hsa05202; hsa05221; hsa05322 3RJD; 4W4O; 4X4M; 4ZNE 12.7%
20 MPL P40238 Thrombopoietin receptor hsa04060; hsa04630 NA 12.7%



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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.