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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: DB08201
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB08201 (1S)-menthyl hexyl phosphonate group Thumb


1 known interactions (targets) of input drug (DB08201): (1S)-menthyl hexyl phosphonate group
No. Gene UniProt ID Protein Name Pathway PDB
1 BCHE P06276 Cholinesterase NA


17 predicted interactions (targets) of input drug (DB08201): (1S)-menthyl hexyl phosphonate group
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE 42.5%
2 CTSF Q9UBX1 Cathepsin F hsa04142; hsa04210 1D5U; 1M6D 17.3%
3 NOS2 P35228 Nitric oxide synthase, inducible hsa00220; hsa00330; hsa01100; hsa04020; hsa04066; hsa04146; hsa04371; hsa04926; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05200; hsa05222 1NSI; 2LL6; 2NSI; 3E7G; 3EJ8; 3HR4; 4CX7; 4NOS 15.0%
4 IL5 P05113 Interleukin-5 hsa04060; hsa04630; hsa04640; hsa04657; hsa04658; hsa04660; hsa04664; hsa04672; hsa05200; hsa05310; hsa05320; hsa05321; hsa05330 1HUL; 3QT2; 3VA2 13.0%
5 PDE4A P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A hsa00230; hsa04024; hsa04928; hsa05032 2QYK; 3I8V; 3TVX 12.6%
6 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 12.3%
7 TF P02787 Serotransferrin hsa04066; hsa04216; hsa04978 12.2%
8 HGF P14210 Hepatocyte growth factor hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04510; hsa05144; hsa05200; hsa05205; hsa05211; hsa05218; hsa05225; hsa05226 11.9%
9 CHRNA1 P02708 Acetylcholine receptor subunit alpha hsa04080 1Y5P; 1Y5T; 1Y6C; 4ZJS 11.9%
10 DRD5 P21918 D(1B) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04728 NA 11.6%
11 VDR P11473 Vitamin D3 receptor hsa04928; hsa04961; hsa04978; hsa05152 11.2%
12 S100B P04271 Protein S100-B NA 1MQ1; 1UWO; 2H61; 2M49; 2PRU; 3CZT; 3D0Y; 3D10; 3HCM; 4XYN; 5CSF; 5CSI; 5CSJ; 5CSN 11.1%
13 ADORA3 P0DMS8 Adenosine receptor A3 hsa04022; hsa04071; hsa04080 1OEA; 1R7N 11.1%
14 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 10.8%
15 HSD11B1 P28845 Corticosteroid 11-beta-dehydrogenase isozyme 1 hsa00140; hsa00980; hsa01100; hsa05204 10.7%
16 SGK1 O00141 Serine/threonine-protein kinase Sgk1 hsa04068; hsa04150; hsa04151; hsa04960 2R5T; 3HDM; 3HDN 10.4%
17 PPP1CC P36873 Serine/threonine-protein phosphatase PP1-gamma catalytic subunit hsa03015; hsa04022; hsa04024; hsa04114; hsa04218; hsa04261; hsa04270; hsa04390; hsa04510; hsa04611; hsa04720; hsa04728; hsa04750; hsa04810; hsa04910; hsa04921; hsa04931; hsa05031; hsa05034; hsa05168; hsa05205 1IT6; 1JK7; 1U32; 2BCD; 2BDX; 4UT2; 4UT3 10.2%


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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.