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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: P11086

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	PNMT	P11086	Phenylethanolamine N-methyltransferase	hsa00350; hsa01100	1HNN; 1N7I; 1N7J; 1YZ3; 2AN3; 2AN4; 2AN5; 2G70; 2G71; 2G72; 2G8N; 2OBF; 2ONY; 2ONZ; 2OPB; 3HCA; 3HCB; 3HCC; 3HCD; 3HCE; 3HCF; 3KPJ; 3KPU; 3KPV; 3KPW; 3KPY; 3KQM; 3KQO; 3KQP; 3KQQ; 3KQS; 3KQT; 3KQV; 3KQW; 3KQY; 3KR0; 3KR1; 3KR2; 4DM3; 4MIK; 4MQ4

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Experimental	SmallMoleculeDrug	DB03824	7-Iodo-1,2,3,4-Tetrahydro-Isoquinoline	IC1=CC2=C(CCNC2)C=C1
2	Experimental	SmallMoleculeDrug	DB07747	(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE	[H][C@]1(CO)CC2=CC=C(C=C2CN1)S(=O)(=O)NC1=CC=C(Cl)C=C1
3	Experimental	SmallMoleculeDrug	DB08129	(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol	[H][C@](O)(CN)C1=CC=CC(=C1)C(F)(F)F
4	Experimental	SmallMoleculeDrug	DB08550	7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline	ClC1=CC=C2CCNCC2=C1Cl
5	Experimental	SmallMoleculeDrug	DB08128	(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine	[H][C@]12CC[C@]([H])(C3=C(C=CC=C13)C(F)(F)F)[C@@]2([H])N
6	Experimental	SmallMoleculeDrug	DB03468	1,2,3,4-Tetrahydro-Isoquinoline-7-Sulfonic Acid Amide	NS(=O)(=O)C1=CC2=C(CCNC2)C=C1
7	Experimental	SmallMoleculeDrug	DB07798	(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE	[H][C@]1(CF)CC2=CC=C(C=C2CN1)S(=O)(=O)NCCC(F)(F)F
8	Experimental	SmallMoleculeDrug	DB08654	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL	[H][C@]1(N)CCC2=CC=CC=C2[C@]1([H])O
9	Experimental	SmallMoleculeDrug	DB07597	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL	[H][C@]1(N)CCC2=CC=CC=C2[C@@]1([H])O
10	Experimental	SmallMoleculeDrug	DB01752	S-adenosyl-L-homocysteine	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O
11	Experimental	SmallMoleculeDrug	DB07906	[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL	[H][C@]1(CO)CC2=CC=C(C=C2CN1)[N+]([O-])=O
12	Experimental	SmallMoleculeDrug	DB07739	(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE	[H][C@]1(CF)CC2=CC=C(C=C2CN1)S(=O)(=O)N1CCSCC1
13	Experimental	SmallMoleculeDrug	DB08631	N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE	ClC1=CC=C(NS(=O)(=O)C2=CC=C3CCNCC3=C2)C=C1
14	Experimental	SmallMoleculeDrug	DB04273	8,9-Dichloro-2,3,4,5-Tetrahydro-1h-Benzo[C]Azepine	ClC1=CC=C2CCCNCC2=C1Cl

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image	Confidence score
1	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00114	Pyridoxal Phosphate	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		41.4%
2	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00118	Ademetionine	[H][C@](N)(CC[S+](C)C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C([O-])=O		32.3%
3	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB00477	Chlorpromazine	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2		28.9%
4	Experimental; Investigational	SmallMoleculeDrug	DB03010	Patupilone	[H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1		27.0%
5	Approved; Investigational	SmallMoleculeDrug	DB00909	Zonisamide	NS(=O)(=O)CC1=NOC2=CC=CC=C12		26.9%
6	Approved	SmallMoleculeDrug	DB03754	Tromethamine	NC(CO)(CO)CO		26.2%
7	Approved; Investigational	SmallMoleculeDrug	DB00555	Lamotrigine	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1		25.3%
8	Approved; Vet approved	SmallMoleculeDrug	DB00572	Atropine	CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1		25.2%
9	Experimental	SmallMoleculeDrug	DB08217	S-[(1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate	CC1(C)C=C(CSS(C)(=O)=O)C(C)(C)N1O		24.1%
10	Experimental; Investigational	SmallMoleculeDrug	DB01873	Epothilone D	[H]\C(=C(\C)[C@]1([H])C\C([H])=C(C)/CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1		23.3%
11	Investigational	SmallMoleculeDrug	DB05492	Epicept NP-1	CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O		22.3%
12	Experimental	SmallMoleculeDrug	DB07574	2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE	[H][C@@]1(CCC2=C(C(OC)=C(OC)C(OC)=C2)C2=CC=C(OC)C(=O)C=C12)NC(=O)CS		22.1%
13	Approved; Investigational	SmallMoleculeDrug	DB02701	Nicotinamide	NC(=O)C1=CC=CN=C1		22.1%
14	Experimental	SmallMoleculeDrug	DB02751	Glycocyamine	NC(=N)NCC(O)=O		22.0%
15	Approved; Investigational	SmallMoleculeDrug	DB09462	Glycerin	OCC(O)CO		21.4%
16	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB09225	Zotepine	CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12		21.4%
17	Approved; Investigational	SmallMoleculeDrug	DB13985	Lutetium Lu 177 dotatate	[177Lu+3].[H][C@](C)(O)[C@]([H])(N=C(O)[C@]1([H])CSSC[C@]([H])(N=C(O)[C@@]([H])(CC2=CC=CC=C2)N=C([O-])CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC([O-])=O)CC2)C(O)=N[C@@]([H])(CC2=CC=C([O-])C=C2)C(O)=N[C@]([H])(CC2=CNC3=CC=CC=C23)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@]([H])(C(O)=N1)[C@@]([H])(C)O)C(O)=O		21.3%
18	Approved	SmallMoleculeDrug	DB00201	Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C		21.2%
19	Approved; Nutraceutical	SmallMoleculeDrug	DB00151	L-Cysteine	N[C@@H](CS)C(O)=O		21.0%
20	Approved; Nutraceutical	SmallMoleculeDrug	DB00136	Calcitriol	C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C		20.8%