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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: P09874

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	PARP1	P09874	Poly [ADP-ribose] polymerase 1	hsa03410; hsa04064; hsa04210; hsa04217	1UK0; 1UK1; 1WOK; 2COK; 2CR9; 2CS2; 2DMJ; 2JVN; 2L30; 2L31; 2RCW; 2RD6; 2RIQ; 3GJW; 3GN7; 3L3L; 3L3M; 3OD8; 3ODA; 3ODC; 3ODE; 4AV1; 4DQY; 4GV7; 4HHY; 4HHZ; 4L6S; 4OPX; 4OQA; 4OQB; 4PJT; 4R5W; 4R6E; 4UND; 4UXB; 4XHU; 4ZZZ; 5A00

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Experimental	SmallMoleculeDrug	DB07330	trans-4-(7-carbamoyl-1H-benzimidazol-2-yl)-1-propylpiperidinium	CCCN1CCC(CC1)C1=NC2=C(N1)C(=CC=C2)C(N)=O
2	Experimental	SmallMoleculeDrug	DB07096	6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE	NC1=CC=C2C(=O)NC(=O)C3=CC=CC1=C23
3	Experimental	SmallMoleculeDrug	DB03722	3,4-Dihydro-5-Methyl-Isoquinolinone	CC1=CC=CC2=C1CCNC2=O
4	Approved; Investigational	SmallMoleculeDrug	DB02701	Nicotinamide	NC(=O)C1=CC=CN=C1
5	Experimental	SmallMoleculeDrug	DB02498	Carba-Nicotinamide-Adenine-Dinucleotide	[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)C[C@@]([H])([N+]2=CC=CC(=C2)C(O)=N)[C@]([H])(O)[C@]1([H])O
6	Investigational	SmallMoleculeDrug	DB13877	Iniparib	NC(=O)C1=CC(=C(I)C=C1)[N+]([O-])=O
7	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]
8	Experimental	SmallMoleculeDrug	DB02690	NU1025	CC1=NC2=C(C=CC=C2O)C(=O)N1
9	Experimental	SmallMoleculeDrug	DB04010	2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide	COC1=CC=CC(=C1)C1=NC2=C(N1)C=CC=C2C(N)=O
10	Experimental	SmallMoleculeDrug	DB03073	3-Methoxybenzamide	COC1=CC=CC(=C1)C(N)=O
11	Investigational	SmallMoleculeDrug	DB07232	Veliparib	C[C@@]1(CCCN1)C1=NC2=CC=CC(C(N)=O)=C2N1
12	Experimental	SmallMoleculeDrug	DB07787	5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE	FC1=C2C(=O)NC(=O)N(CCCCN3CCC(=CC3)C3=CC=CC=C3)C2=CC=C1
13	Experimental	SmallMoleculeDrug	DB03509	2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide	NC(=O)C1=CC=CC2=NC=C(N=C12)C1=CC=C(Cl)C=C1
14	Approved	SmallMoleculeDrug	DB00277	Theophylline	CN1C2=C(NC=N2)C(=O)N(C)C1=O
15	Approved	SmallMoleculeDrug	DB09074	Olaparib	OC1=NN=C(CC2=CC(C(=O)N3CCN(CC3)C(=O)C3CC3)=C(F)C=C2)C2=CC=CC=C12
16	Experimental	SmallMoleculeDrug	DB03072	2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone	CC1=CC=CC2=C1N=C(CCCN1CCC(=CC1)C1=CC=C(F)C=C1)NC2=O
17	Approved; Investigational	SmallMoleculeDrug	DB11793	Niraparib	NC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)[C@@H]1CCCNC1
18	Approved; Investigational	SmallMoleculeDrug	DB12332	Rucaparib	CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3

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		42.1%
2	Approved	SmallMoleculeDrug	DB00201	Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C		31.3%
3	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		30.9%
4	Approved; Nutraceutical	SmallMoleculeDrug	DB01373	Calcium	[Ca]		29.7%
5	Investigational	SmallMoleculeDrug	DB06246	Exisulind	CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)(=O)=O		27.9%
6	Approved	SmallMoleculeDrug	DB01094	Hesperetin	COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1		27.8%
7	Investigational	SmallMoleculeDrug	DB04326	Dihydroxyacetone phosphate	OCC(=O)COP(O)(O)=O		27.0%
8	Approved	SmallMoleculeDrug	DB06616	Bosutinib	COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl		27.0%
9	Approved	SmallMoleculeDrug	DB09283	Trapidil	CCN(CC)C1=CC(C)=NC2=NC=NN12		26.1%
10	Approved; Investigational	SmallMoleculeDrug	DB00555	Lamotrigine	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1		25.3%
11	Experimental	SmallMoleculeDrug	DB00466	Picrotoxin	[H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O		24.4%
12	Approved; Investigational	BiotechDrug	DB04932	Defibrotide	NA		23.7%
13	Approved; Investigational	SmallMoleculeDrug	DB11994	Diacerein	CC(=O)OC1=CC=CC2=C1C(=O)C1=C(OC(C)=O)C=C(C=C1C2=O)C(O)=O		22.0%
14	Investigational	SmallMoleculeDrug	DB05478	Pradefovir Mesylate	CS(O)(=O)=O.NC1=C2N=CN(CCOC[P@@]3(=O)OCC[C@H](O3)C3=CC(Cl)=CC=C3)C2=NC=N1		21.9%
15	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		21.9%
16	Experimental	SmallMoleculeDrug	DB04447	1,4-Dithiothreitol	O[C@@H](CS)[C@@H](O)CS		21.8%
17	Approved; Illicit; Investigational	SmallMoleculeDrug	DB00690	Flurazepam	CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F		20.8%
18	Experimental	SmallMoleculeDrug	DB03597	Gamma-Glutamyl[S-(2-Iodobenzyl)Cysteinyl]Glycine	[H][C@](N)(CCC(O)=N[C@@]([H])(CSCC1=CC=CC=C1I)C(O)=NCC(O)=O)C(O)=O		20.7%
19	Experimental	SmallMoleculeDrug	DB08129	(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol	[H][C@](O)(CN)C1=CC=CC(=C1)C(F)(F)F		20.5%
20	Approved; Nutraceutical	SmallMoleculeDrug	DB00127	Spermine	NCCCNCCCCNCCCN		20.4%