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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: DB02343
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Experimental SmallMoleculeDrug DB02343 3,6,9,12,15-Pentaoxaheptadecane Thumb

1 known interactions (targets) of input drug (DB02343): 3,6,9,12,15-Pentaoxaheptadecane
No. Gene UniProt ID Protein Name Pathway PDB
1 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE

20 predicted interactions (targets) of input drug (DB02343): 3,6,9,12,15-Pentaoxaheptadecane
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 BCHE P06276 Cholinesterase NA 37.7%
2 HTR4 Q13639 5-hydroxytryptamine receptor 4 hsa04020; hsa04024; hsa04080; hsa04726 NA 21.2%
3 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 20.5%
4 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 18.6%
5 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 17.3%
6 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA 17.0%
7 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 17.0%
8 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 15.5%
9 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 15.0%
10 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 13.9%
11 ADRB3 P13945 Beta-3 adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970 2CDW 13.9%
12 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 13.7%
13 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 13.5%
14 ADRA2B P18089 Alpha-2B adrenergic receptor hsa04022; hsa04080 2CVA 13.2%
15 CHEK1 O14757 Serine/threonine-protein kinase Chk1 hsa04110; hsa04115; hsa04218; hsa05166; hsa05170; hsa05203 12.9%
16 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 12.5%
17 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 12.3%
18 AKR1C1 Q04828 Aldo-keto reductase family 1 member C1 hsa00140; hsa00980 1MRQ; 3C3U; 3GUG; 3NTY 11.7%
19 SERPINA5 P05154 Plasma serine protease inhibitor hsa04610 1LQ8; 1PAI; 2HI9; 2OL2; 2PAI; 3DY0 11.5%
20 HTR2B P41595 5-hydroxytryptamine receptor 2B hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 4IB4; 4NC3 11.4%


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.


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.