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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.


4 known interactions (drugs) of input target (AKT2): RAC-beta serine/threonine-protein kinase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB07859 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE Thumb
2 Experimental SmallMoleculeDrug DB08073 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE Thumb
3 Experimental SmallMoleculeDrug DB07947 ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE Thumb
4 Experimental SmallMoleculeDrug DB07812 N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Thumb


20 predicted interactions (drugs) of input target (AKT2): RAC-beta serine/threonine-protein kinase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB01772 3-[3-(2,3-Dihydroxy-Propylamino)-Phenyl]-4-(5-Fluoro-1-Methyl-1h-Indol-3-Yl)-Pyrrole-2,5-Dione Thumb 30.2%
2 Experimental SmallMoleculeDrug DB02010 Staurosporine Thumb 29.2%
3 Experimental SmallMoleculeDrug DB01793 SB-409513 Thumb 27.6%
4 Experimental SmallMoleculeDrug DB03444 (3e)-6'-Bromo-2,3'-Biindole-2',3(1h,1'h)-Dione 3-Oxime Thumb 27.5%
5 Experimental SmallMoleculeDrug DB06959 (2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine Thumb 27.1%
6 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb 25.6%
7 Experimental SmallMoleculeDrug DB08756 (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE Thumb 25.3%
8 Experimental SmallMoleculeDrug DB07995 N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE Thumb 23.0%
9 Experimental SmallMoleculeDrug DB01950 N-(4-Methoxybenzyl)-N'-(5-Nitro-1,3-Thiazol-2-Yl)Urea Thumb 23.0%
10 Experimental SmallMoleculeDrug DB08150 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium Thumb 22.9%
11 Experimental SmallMoleculeDrug DB08148 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine Thumb 22.4%
12 Experimental SmallMoleculeDrug DB07996 5-(2-methylpiperazine-1-sulfonyl)isoquinoline Thumb 22.4%
13 Experimental SmallMoleculeDrug DB04014 Alsterpaullone Thumb 22.4%
14 Experimental SmallMoleculeDrug DB07876 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE Thumb 22.1%
15 Experimental SmallMoleculeDrug DB08149 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine Thumb 21.9%
16 Experimental SmallMoleculeDrug DB02052 Indirubin-3'-Monoxime Thumb 21.8%
17 Experimental SmallMoleculeDrug DB08569 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE Thumb 21.6%
18 Experimental SmallMoleculeDrug DB08568 (2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE Thumb 21.3%
19 Experimental SmallMoleculeDrug DB07857 (2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine Thumb 21.1%
20 Experimental SmallMoleculeDrug DB07058 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione Thumb 21.0%


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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.