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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: DB08357
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Experimental SmallMoleculeDrug DB08357 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE Thumb


1 known interactions (targets) of input drug (DB08357): 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE
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 (DB08357): 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 BCHE P06276 Cholinesterase NA 39.8%
2 HSP90AB1 P08238 Heat shock protein HSP 90-beta hsa04141; hsa04151; hsa04217; hsa04612; hsa04621; hsa04657; hsa04659; hsa04914; hsa04915; hsa05200; hsa05215; hsa05418 1QZ2; 1UYM; 2L6J; 3FWV; 3NMQ; 3PRY; 3UQ3 17.8%
3 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 15.7%
4 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 13.1%
5 MAOB P27338 Amine oxidase [flavin-containing] B hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 13.1%
6 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA 12.9%
7 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 12.8%
8 TACR1 P25103 Substance-P receptor hsa04020; hsa04080; hsa05162 2KS9; 2KSA; 2KSB 12.8%
9 CACNA1H O95180 Voltage-dependent T-type calcium channel subunit alpha-1H hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 12.7%
10 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 12.2%
11 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 12.0%
12 PRDX6 P30041 Peroxiredoxin-6 hsa01100 1PRX 11.9%
13 CACNA1G O43497 Voltage-dependent T-type calcium channel subunit alpha-1G hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04930; hsa04934 NA 11.8%
14 SERPINC1 P01008 Antithrombin-III hsa04610 11.7%
15 PYGL P06737 Glycogen phosphorylase, liver form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1EM6; 1EXV; 1FA9; 1FC0; 1L5Q; 1L5R; 1L5S; 1L7X; 1XOI; 2ATI; 2QLL; 2ZB2; 3CEH; 3CEJ; 3CEM; 3DD1; 3DDS; 3DDW 11.5%
16 SFTPA1 Q8IWL2 Pulmonary surfactant-associated protein A1 hsa04145; hsa05133 NA 11.5%
17 ASL P04424 Argininosuccinate lyase hsa00220; hsa00250; hsa01100; hsa01230 1AOS; 1K62 11.4%
18 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY 11.1%
19 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 11.1%
20 ECHS1 P30084 Enoyl-CoA hydratase, mitochondrial hsa00062; hsa00071; hsa00280; hsa00310; hsa00380; hsa00410; hsa00640; hsa00650; hsa01100; hsa01200; hsa01212 2HW5 11.1%



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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.