QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics

 

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: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: Q02127
No. Gene UniProt ID Protein Name Pathway PDB
1 DHODH Q02127 Dihydroorotate dehydrogenase (quinone), mitochondrial hsa00240; hsa01100


26 known interactions (drugs) of input target (DHODH): Dihydroorotate dehydrogenase (quinone), mitochondrial
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Experimental SmallMoleculeDrug DB08249 3,6,9,12,15-PENTAOXATRICOSAN-1-OL Thumb
2 Approved;
Investigational
SmallMoleculeDrug DB01097 Leflunomide Thumb
3 Approved SmallMoleculeDrug DB08880 Teriflunomide Thumb
4 Experimental SmallMoleculeDrug DB08006 N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine Thumb
5 Experimental SmallMoleculeDrug DB07977 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID Thumb
6 Experimental SmallMoleculeDrug DB07559 (2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide Thumb
7 Experimental SmallMoleculeDrug DB07443 (2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide Thumb
8 Experimental SmallMoleculeDrug DB02613 Decylamine-N,N-Dimethyl-N-Oxide Thumb
9 Investigational SmallMoleculeDrug DB05125 SC12267 Thumb
10 Experimental SmallMoleculeDrug DB07976 3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID Thumb
11 Approved;
Investigational
SmallMoleculeDrug DB03247 Flavin mononucleotide Thumb
12 Experimental SmallMoleculeDrug DB08008 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine Thumb
13 Approved SmallMoleculeDrug DB01117 Atovaquone Thumb
14 Experimental SmallMoleculeDrug DB03480 Brequinar Analog Thumb
15 Experimental SmallMoleculeDrug DB03523 Brequinar Thumb
16 Experimental SmallMoleculeDrug DB04583 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid Thumb
17 Experimental SmallMoleculeDrug DB04147 Lauryl Dimethylamine-N-Oxide Thumb
18 Experimental SmallMoleculeDrug DB07975 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID Thumb
19 Experimental SmallMoleculeDrug DB04281 2-[4-(4-Chlorophenyl)Cyclohexylidene]-3,4-Dihydroxy-1(2h)-Naphthalenone Thumb
20 Experimental SmallMoleculeDrug DB08172 (2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide Thumb
21 Experimental SmallMoleculeDrug DB07978 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID Thumb
22 Experimental SmallMoleculeDrug DB08169 (2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide Thumb
23 Investigational SmallMoleculeDrug DB06481 Manitimus Thumb
24 Experimental SmallMoleculeDrug DB07561 (2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide Thumb
25 Experimental SmallMoleculeDrug DB07646 UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE Thumb
26 Experimental;
Investigational
SmallMoleculeDrug DB02262 Orotic Acid Thumb


20 predicted interactions (drugs) of input target (DHODH): Dihydroorotate dehydrogenase (quinone), mitochondrial
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
Nutraceutical
SmallMoleculeDrug DB00142 Glutamic Acid Thumb 49.0%
2 Approved;
Experimental;
Investigational
SmallMoleculeDrug DB02709 Resveratrol Thumb 34.7%
3 Experimental SmallMoleculeDrug DB03738 Pantothenoylaminoethenethiol Thumb 29.5%
4 Approved;
Investigational
SmallMoleculeDrug DB05541 Brivaracetam Thumb 29.4%
5 Approved;
Investigational
SmallMoleculeDrug DB00952 Naratriptan Thumb 27.3%
6 Experimental SmallMoleculeDrug DB08515 (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE Thumb 27.0%
7 Experimental SmallMoleculeDrug DB04522 Dexfosfoserine Thumb 26.8%
8 Approved BiotechDrug DB00071 Insulin Pork Thumb 26.7%
9 Approved;
Investigational
SmallMoleculeDrug DB03088 Pidolic Acid Thumb 26.3%
10 Experimental SmallMoleculeDrug DB03721 N-acetyl-alpha-neuraminic acid Thumb 25.6%
11 Investigational SmallMoleculeDrug DB12695 Phenethyl Isothiocyanate Thumb 25.3%
12 Investigational SmallMoleculeDrug DB12961 Leukotriene B4 Thumb 25.1%
13 Approved;
Investigational
SmallMoleculeDrug DB09568 Omega-3-carboxylic acids Thumb 25.0%
14 Approved;
Investigational
BiotechDrug DB00030 Insulin Human Thumb 24.7%
15 Approved;
Investigational
SmallMoleculeDrug DB00571 Propranolol Thumb 24.7%
16 Experimental SmallMoleculeDrug DB08235 N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide Thumb 24.5%
17 Experimental SmallMoleculeDrug DB08175 (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID Thumb 24.4%
18 Approved;
Vet approved
SmallMoleculeDrug DB08818 Hyaluronic acid Thumb 24.2%
19 Experimental SmallMoleculeDrug DB07664 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE Thumb 24.2%
20 Approved;
Nutraceutical
SmallMoleculeDrug DB00132 Alpha-Linolenic Acid Thumb 24.1%



  logl

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.