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

Viewer control panel                    

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:

Download Network (json)

Download results

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P99999

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	CYCS	P99999	Cytochrome c	hsa01524; hsa04115; hsa04210; hsa04215; hsa04932; hsa05010; hsa05012; hsa05014; hsa05016; hsa05134; hsa05145; hsa05152; hsa05161; hsa05163; hsa05164; hsa05167; hsa05168; hsa05170; hsa05200; hsa05210; hsa05222; hsa05416	1J3S; 3NWV; 3ZCF; 3ZOO

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Experimental; Investigational	SmallMoleculeDrug	DB03366	Imidazole	N1C=CN=C1
2	Experimental	SmallMoleculeDrug	DB04249	Zinc Substituted Heme C	[Zn+4].[H]\C(C)=C1\C(C)=C2[N-]\C\1=C([H])/C1=C(C)C(=C([H])C)\C([N-]1)=C([H])\C1=C(C)C(CCC(O)=O)=C([N-]1)\C([H])=C1/[N-]\C(=C/2\[H])C(C)=C1CCC(O)=O
3	Approved; Investigational	SmallMoleculeDrug	DB01017	Minocycline	[H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2
4	Experimental	SmallMoleculeDrug	DB03317	Heme C	CC(S)C1=C2C=C3C(C)=C(C(C)S)C4=[N+]3[Fe--]35N6C(=C4)C(C)=C(CCC(O)=O)C6=CC4=[N+]3C(=CC(N25)=C1C)C(C)=C4CCC(O)=O
5	Experimental	SmallMoleculeDrug	DB02110	Protoporphyrin Ix Containing Co	CC1=C(CCC(O)=O)C2=CC3=C(CCC(O)=O)C(C)=C4C=C5N6C(=CC7=C(C=C)C(C)=C8C=C1N2[Co]6(N34)N78)C(C)=C5C=C
6	Experimental	SmallMoleculeDrug	DB03977	N-Trimethyllysine	[H][C@](N)(CCCC[N+](C)(C)C)C(O)=O
7	Approved; Investigational	SmallMoleculeDrug	DB11638	Artenimol	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4
8	Experimental	SmallMoleculeDrug	DB03934	Protoporphyrin Ix Containing Zn	CC1=C(CCC(O)=O)C2=CC3=[N]4C(=CC5=C(C)C(C=C)=C6C=C7C(C)=C(C=C)C8=[N]7[Zn]4(N2C1=C8)N56)C(C)=C3CCC(O)=O

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image	Confidence score
1	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		38.1%
2	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]		31.3%
3	Approved; Experimental; Investigational	SmallMoleculeDrug	DB02709	Resveratrol	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1		28.1%
4	Investigational	BiotechDrug	DB06245	Lanoteplase	NA		26.5%
5	Investigational	SmallMoleculeDrug	DB12695	Phenethyl Isothiocyanate	S=C=NCCC1=CC=CC=C1		26.1%
6	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00114	Pyridoxal Phosphate	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		25.1%
7	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB01065	Melatonin	COC1=CC2=C(NC=C2CCNC(C)=O)C=C1		24.8%
8	Approved; Vet approved	SmallMoleculeDrug	DB00945	Acetylsalicylic acid	CC(=O)OC1=CC=CC=C1C(O)=O		23.7%
9	Approved	SmallMoleculeDrug	DB09285	Morniflumate	FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OCCN2CCOCC2)=CC=C1		22.1%
10	Approved; Investigational	SmallMoleculeDrug	DB03793	Benzoic Acid	OC(=O)C1=CC=CC=C1		21.9%
11	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		21.5%
12	Experimental	SmallMoleculeDrug	DB03683	2-{[Formyl(Hydroxy)Amino]Methyl}-4-Methylpentanoic Acid	[H][C@@](CC(C)C)(CN(O)C=O)C(O)=O		21.5%
13	Experimental	SmallMoleculeDrug	DB01864	5'-Guanosine-Diphosphate-Monothiophosphate	[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=S)O[C@@]([H])(N2C=NC3=C2NC(=N)N=C3O)[C@]([H])(O)[C@]1([H])O		20.3%
14	Approved	BiotechDrug	DB00031	Tenecteplase	NA		19.8%
15	Experimental	SmallMoleculeDrug	DB02507	4-Hydroxy-3-[(1s)-3-Oxo-1-Phenylbutyl]-2h-Chromen-2-One	[H][C@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O		19.4%
16	Approved	BiotechDrug	DB10772	Foreskin keratinocyte (neonatal)	NA		19.2%
17	Approved; Investigational	SmallMoleculeDrug	DB00995	Auranofin	CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O		18.7%
18	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00130	L-Glutamine	N[C@@H](CCC(N)=O)C(O)=O		18.5%
19	Approved; Investigational	SmallMoleculeDrug	DB09130	Copper	[Cu]		18.4%
20	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00141	N-Acetylglucosamine	[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO		18.2%