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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: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P18031
No. Gene UniProt ID Protein Name Pathway PDB
1 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931


57 known interactions (drugs) of input target (PTPN1): Tyrosine-protein phosphatase non-receptor type 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Experimental SmallMoleculeDrug DB04204 [(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid Thumb
2 Experimental SmallMoleculeDrug DB08003 ISOTHIAZOLIDINONE ANALOG Thumb
3 Investigational SmallMoleculeDrug DB06521 Ertiprotafib Thumb
4 Experimental SmallMoleculeDrug DB03483 4-Benzoylamino-4-{1-{1-Carbamoyl-2-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Ethylcarbamoyl}-2-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Ethylcarbamoyl}-Butyric Acid Thumb
5 Experimental SmallMoleculeDrug DB07651 N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE Thumb
6 Experimental SmallMoleculeDrug DB04285 {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid Thumb
7 Experimental SmallMoleculeDrug DB02615 Compound 19 Thumb
8 Experimental SmallMoleculeDrug DB03982 Compound 5, 2-(Naphthalen-1-Yl-Oxalyl-Amino)-Benzoicacid Thumb
9 Experimental SmallMoleculeDrug DB07719 [(3R)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid Thumb
10 Experimental SmallMoleculeDrug DB02620 Sp7343-Sp7964 Thumb
11 Experimental SmallMoleculeDrug DB02436 2-{4-[(2s)-2-[({[(1s)-1-Carboxy-2-Phenylethyl]Amino}Carbonyl)Amino]-3-Oxo-3-(Pentylamino)Propyl]Phenoxy}Malonic Acid Thumb
12 Experimental SmallMoleculeDrug DB07298 3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID Thumb
13 Experimental SmallMoleculeDrug DB02014 Compound 9 Thumb
14 Experimental SmallMoleculeDrug DB02651 {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid) Thumb
15 Experimental SmallMoleculeDrug DB08397 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID Thumb
16 Experimental SmallMoleculeDrug DB07263 [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid Thumb
17 Experimental SmallMoleculeDrug DB07289 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID Thumb
18 Experimental SmallMoleculeDrug DB02977 PNU177836 Thumb
19 Experimental SmallMoleculeDrug DB03154 {[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid Thumb
20 Experimental SmallMoleculeDrug DB08371 PARA-(BENZOYL)-PHENYLALANINE Thumb
21 Experimental SmallMoleculeDrug DB02259 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide Thumb
22 Experimental SmallMoleculeDrug DB04142 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide Thumb
23 Experimental SmallMoleculeDrug DB08147 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid Thumb
24 Experimental SmallMoleculeDrug DB04001 6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid Thumb
25 Experimental SmallMoleculeDrug DB07295 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID Thumb
26 Experimental SmallMoleculeDrug DB03311 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide Thumb
27 Experimental SmallMoleculeDrug DB03670 2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro-Thieno[2,3-C]Pyridine-3-Carboxylic Acid Thumb
28 Experimental SmallMoleculeDrug DB06829 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID Thumb
29 Experimental SmallMoleculeDrug DB04525 2-(Carboxymethoxy)-5-[(2s)-2-({(2s)-2-[(3-Carboxypropanoyl)Amino] -3-Phenylpropanoyl}Amino)-3-Oxo-3-(Pentylamino)Propyl]Benzoic Acid Thumb
30 Investigational BiotechDrug DB06333 Trodusquemine Thumb
31 Experimental SmallMoleculeDrug DB04800 1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID Thumb
32 Experimental SmallMoleculeDrug DB07134 5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE Thumb
33 Experimental SmallMoleculeDrug DB04088 N-(Allyloxycarbonyl)-4-[N-(Carboxy-Formyl)-2-(Benzoic Acid)-Amino]-L-Phenylalaninyl-Amino-Butyloxy-(6-Hydroxy-Benzoic Acid Methyl Ester) Thumb
34 Experimental SmallMoleculeDrug DB02662 Novo Nordisk a/S Compound Thumb
35 Experimental SmallMoleculeDrug DB08549 (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER Thumb
36 Experimental SmallMoleculeDrug DB03102 2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid Thumb
37 Experimental SmallMoleculeDrug DB07730 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE Thumb
38 Experimental SmallMoleculeDrug DB06887 [(3S)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid Thumb
39 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB01133 Tiludronic acid Thumb
40 Experimental SmallMoleculeDrug DB03714 4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid Thumb
41 Experimental SmallMoleculeDrug DB01820 Compound 12, N-Acetyl-4-[(Carboxycarbonyl)(2-Carboxyphenyl)Amino]-N-Pentyl-1-Napthylalaniamide Thumb
42 Investigational SmallMoleculeDrug DB05506 ISIS 113715 Thumb
43 Experimental SmallMoleculeDrug DB02784 N-[4-(2-{2-[3-(2-Bromo-Acetylamino)-Propionylamino]-3-Hydroxy-Propionylamino}-Ethyl)-Phenyl]-Oxalamic Acid Thumb
44 Experimental SmallMoleculeDrug DB08001 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID Thumb
45 Experimental SmallMoleculeDrug DB08593 1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE Thumb
46 Experimental SmallMoleculeDrug DB07130 4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID Thumb
47 Experimental SmallMoleculeDrug DB02622 2-(Oxalyl-Amino)-Benzoic Acid Thumb
48 Experimental SmallMoleculeDrug DB02827 7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid Thumb
49 Experimental SmallMoleculeDrug DB01734 3-(Oxalyl-Amino)-Naphthalene-2-Carboxylic Acid Thumb
50 Experimental SmallMoleculeDrug DB03661 Cysteinesulfonic Acid Thumb
51 Experimental SmallMoleculeDrug DB03557 N-{1-[5-(1-Carbamoyl-2-Mercapto-Ethylcarbamoyl)-Pentylcarbamoyl]-2-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Ethyl}-3-{2-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Acetylamino}-Succinamic Acid Thumb
52 Experimental SmallMoleculeDrug DB08591 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE Thumb
53 Experimental SmallMoleculeDrug DB02072 2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Thiopyran-3-Carboxylic Acid Thumb
54 Experimental SmallMoleculeDrug DB08783 (4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid Thumb
55 Experimental SmallMoleculeDrug DB07480 4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN Thumb
56 Experimental SmallMoleculeDrug DB02420 [[4-(Aminomethyl)Phenyl]Amino]Oxo-Acetic Acid, Thumb
57 Experimental SmallMoleculeDrug DB07197 4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID Thumb


20 predicted interactions (drugs) of input target (PTPN1): Tyrosine-protein phosphatase non-receptor type 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved SmallMoleculeDrug DB02659 Cholic Acid Thumb 56.7%
2 Approved;
Investigational;
Nutraceutical
SmallMoleculeDrug DB00131 Adenosine monophosphate Thumb 52.1%
3 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB01234 Dexamethasone Thumb 44.6%
4 Experimental;
Investigational
SmallMoleculeDrug DB04216 Quercetin Thumb 36.2%
5 Experimental SmallMoleculeDrug DB02930 Adenosine 5'-[γ-thio]triphosphate Thumb 36.2%
6 Approved SmallMoleculeDrug DB00277 Theophylline Thumb 33.4%
7 Experimental SmallMoleculeDrug DB04464 N-Formylmethionine Thumb 32.7%
8 Approved;
Investigational
SmallMoleculeDrug DB08869 Tesamorelin
CC\C=C\CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Thumb 31.8%
9 Approved;
Investigational
SmallMoleculeDrug DB08813 Nadroparin Thumb 31.1%
10 Approved;
Nutraceutical
SmallMoleculeDrug DB00139 Succinic acid Thumb 30.8%
11 Approved SmallMoleculeDrug DB13269 Dichlorobenzyl alcohol Thumb 30.5%
12 Approved;
Investigational
SmallMoleculeDrug DB05541 Brivaracetam Thumb 30.2%
13 Approved;
Experimental;
Investigational
SmallMoleculeDrug DB02709 Resveratrol Thumb 29.8%
14 Experimental SmallMoleculeDrug DB04083 N'-Pyridoxyl-Lysine-5'-Monophosphate Thumb 29.4%
15 Experimental SmallMoleculeDrug DB07616 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid Thumb 28.9%
16 Approved;
Investigational
SmallMoleculeDrug DB09568 Omega-3-carboxylic acids Thumb 28.7%
17 Approved;
Investigational
SmallMoleculeDrug DB02530 gamma-Aminobutyric acid Thumb 28.6%
18 Approved;
Investigational
SmallMoleculeDrug DB07615 Tranilast Thumb 28.5%
19 Approved;
Investigational
SmallMoleculeDrug DB09462 Glycerin Thumb 28.4%
20 Approved;
Investigational
SmallMoleculeDrug DB03247 Flavin mononucleotide Thumb 28.4%



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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.