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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.

Results:

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Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: Q13131

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	PRKAA1	Q13131	5'-AMP-activated protein kinase catalytic subunit alpha-1	hsa04068; hsa04140; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04371; hsa04530; hsa04710; hsa04714; hsa04910; hsa04920; hsa04921; hsa04922; hsa04931; hsa04932; hsa05410; hsa05418	4RED; 4RER; 4REW

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB00914	Phenformin	NC(=N)NC(=N)NCCC1=CC=CC=C1
2	Approved; Investigational	SmallMoleculeDrug	DB12010	Fostamatinib	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC
3	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00131	Adenosine monophosphate	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
4	Approved; Vet approved	SmallMoleculeDrug	DB00945	Acetylsalicylic acid	CC(=O)OC1=CC=CC=C1C(O)=O
5	Investigational; Nutraceutical	SmallMoleculeDrug	DB00171	ATP	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image	Confidence score
1	Approved	SmallMoleculeDrug	DB01016	Glyburide	COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1		32.9%
2	Approved; Nutraceutical	SmallMoleculeDrug	DB00157	NADH	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		31.6%
3	Investigational	SmallMoleculeDrug	DB06486	Enzastaurin	CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12		29.1%
4	Approved	SmallMoleculeDrug	DB08896	Regorafenib	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1		28.3%
5	Approved; Investigational	SmallMoleculeDrug	DB01254	Dasatinib	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		24.5%
6	Approved	SmallMoleculeDrug	DB00675	Tamoxifen	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1		22.0%
7	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB01392	Yohimbine	[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2		20.1%
8	Investigational	SmallMoleculeDrug	DB06521	Ertiprotafib	CC1=C(C)C2=C(C3=CC(C)=C(O[C@H](CC4=CC=CC=C4)C(O)=O)C(C)=C3)C3=CC=CC=C3C(Br)=C2S1		19.7%
9	Approved; Investigational	SmallMoleculeDrug	DB01169	Arsenic trioxide	O=[As]O[As]=O		19.0%
10	Approved	SmallMoleculeDrug	DB00331	Metformin	CN(C)C(=N)NC(N)=N		18.9%
11	Approved	SmallMoleculeDrug	DB00277	Theophylline	CN1C2=C(NC=N2)C(=O)N(C)C1=O		18.8%
12	Approved; Vet approved	SmallMoleculeDrug	DB01183	Naloxone	OC1=CC=C2C[C@H]3N(CC=C)CC[C@@]45[C@@H](OC1=C24)C(=O)CC[C@@]35O		18.7%
13	Approved; Experimental; Investigational	SmallMoleculeDrug	DB02772	Sucrose	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O		18.6%
14	Investigational	SmallMoleculeDrug	DB06408	Taribavirin	NC(=N)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O		18.6%
15	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB00145	Glycine	NCC(O)=O		18.1%
16	Approved; Investigational	SmallMoleculeDrug	DB08901	Ponatinib	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1		17.7%
17	Experimental	SmallMoleculeDrug	DB06905	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid	[H][C@](C)(\C=C(/C)\C=C\[C@]([H])(N)[C@]([H])(C)C(O)=O)[C@]([H])(CC1=CC=CC=C1)OC		17.6%
18	Approved; Withdrawn	SmallMoleculeDrug	DB09121	Aurothioglucose	OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O		17.5%
19	Approved	BiotechDrug	DB00039	Palifermin	NA		17.2%
20	Experimental	SmallMoleculeDrug	DB02506	2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid	[H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC		16.7%