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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: P07550

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	ADRB2	P07550	Beta-2 adrenergic receptor	hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04923; hsa04924; hsa04970	1GQ4; 2R4R; 2R4S; 2RH1; 3D4S; 3KJ6; 3NY8; 3NY9; 3NYA; 3P0G; 3PDS; 3SN6; 4GBR; 4LDE; 4LDL; 4LDO; 4QKX

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Approved; Investigational	SmallMoleculeDrug	DB01274	Arformoterol	COC1=CC=C(C[C@@H](C)NC[C@H](O)C2=CC(NC=O)=C(O)C=C2)C=C1
2	Approved	SmallMoleculeDrug	DB01214	Metipranolol	CC(C)NCC(O)COC1=C(C)C(C)=C(OC(C)=O)C(C)=C1
3	Approved; Investigational	SmallMoleculeDrug	DB00571	Propranolol	CC(C)NCC(O)COC1=CC=CC2=CC=CC=C12
4	Approved	SmallMoleculeDrug	DB00321	Amitriptyline	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12
5	Approved; Investigational	SmallMoleculeDrug	DB00960	Pindolol	CC(C)NCC(O)COC1=CC=CC2=C1C=CN2
6	Investigational	SmallMoleculeDrug	DB09204	Arotinolol	CC(C)(C)NCC(O)CSC1=NC(=CS1)C1=CC=C(S1)C(N)=O
7	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB01407	Clenbuterol	CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1
8	Approved; Investigational	SmallMoleculeDrug	DB00867	Ritodrine	C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1
9	Approved	SmallMoleculeDrug	DB08808	Bupranolol	CC1=CC(OCC(O)CNC(C)(C)C)=C(Cl)C=C1
10	Approved	SmallMoleculeDrug	DB01182	Propafenone	CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
11	Approved	SmallMoleculeDrug	DB00370	Mirtazapine	CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1
12	Approved	SmallMoleculeDrug	DB00368	Norepinephrine	NC[C@H](O)C1=CC(O)=C(O)C=C1
13	Experimental	SmallMoleculeDrug	DB03566	Spermidine	NCCCCNCCCN
14	Approved; Investigational	SmallMoleculeDrug	DB04846	Celiprolol	CCN(CC)C(=O)NC1=CC=C(OCC(O)CNC(C)(C)C)C(=C1)C(C)=O
15	Approved; Experimental	SmallMoleculeDrug	DB13345	Dihydroergocristine	[H][C@@]12CCCN1C(=O)[C@]([H])(CC1=CC=CC=C1)N1C(=O)[C@@](O[C@@]21O)(N=C(O)[C@@]1([H])CN(C)[C@]2([H])CC3=CNC4=CC=CC(=C34)[C@@]2([H])C1)C(C)C
16	Approved	SmallMoleculeDrug	DB09082	Vilanterol	[H][C@](O)(CNCCCCCCOCCOCC1=C(Cl)C=CC=C1Cl)C1=CC(CO)=C(O)C=C1
17	Approved; Vet approved; Withdrawn	SmallMoleculeDrug	DB00397	Phenylpropanolamine	C[C@@H](N)[C@@H](O)C1=CC=CC=C1
18	Approved	SmallMoleculeDrug	DB00248	Cabergoline	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC
19	Approved; Investigational	SmallMoleculeDrug	DB04861	Nebivolol	OC(CNCC(O)C1CCC2=C(O1)C=CC(F)=C2)C1CCC2=C(O1)C=CC(F)=C2
20	Approved; Investigational	SmallMoleculeDrug	DB13139	Levosalbutamol	CC(C)(C)NC[C@H](O)C1=CC(CO)=C(O)C=C1
21	Approved	SmallMoleculeDrug	DB00521	Carteolol	CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2
22	Withdrawn	SmallMoleculeDrug	DB00901	Bitolterol	CC1=CC=C(C=C1)C(=O)OC1=C(OC(=O)C2=CC=C(C)C=C2)C=C(C=C1)C(O)CNC(C)(C)C
23	Approved	SmallMoleculeDrug	DB05039	Indacaterol	CCC1=C(CC)C=C2CC(CC2=C1)NC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1
24	Approved	SmallMoleculeDrug	DB00816	Orciprenaline	CC(C)NCC(O)C1=CC(O)=CC(O)=C1
25	Approved; Investigational	SmallMoleculeDrug	DB01359	Penbutolol	CC(C)(C)NC[C@H](O)COC1=CC=CC=C1C1CCCC1
26	Approved; Investigational	SmallMoleculeDrug	DB01288	Fenoterol	CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1
27	Approved; Investigational	SmallMoleculeDrug	DB00195	Betaxolol	CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1
28	Approved; Investigational	SmallMoleculeDrug	DB01193	Acebutolol	CCCC(=O)NC1=CC(C(C)=O)=C(OCC(O)CNC(C)C)C=C1
29	Approved	SmallMoleculeDrug	DB11587	Etafedrine	CCN(C)[C@@H](C)[C@H](O)C1=CC=CC=C1
30	Approved; Withdrawn	SmallMoleculeDrug	DB00866	Alprenolol	CC(C)NCC(O)COC1=CC=CC=C1CC=C
31	Experimental	SmallMoleculeDrug	DB09013	Befunolol	CC(C)NCC(O)COC1=CC=CC2=C1OC(=C2)C(C)=O
32	Approved	SmallMoleculeDrug	DB08807	Bopindolol	CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C1=CC=CC=C1
33	Approved	SmallMoleculeDrug	DB01295	Bevantolol	COC1=C(OC)C=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1
34	Approved	SmallMoleculeDrug	DB01365	Mephentermine	CNC(C)(C)CC1=CC=CC=C1
35	Approved; Nutraceutical	SmallMoleculeDrug	DB00127	Spermine	NCCCNCCCCNCCCN
36	Approved	SmallMoleculeDrug	DB01102	Arbutamine	O[C@@H](CNCCCCC1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1
37	Approved	SmallMoleculeDrug	DB00540	Nortriptyline	CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12
38	Approved	SmallMoleculeDrug	DB00852	Pseudoephedrine	CN[C@@H](C)[C@@H](O)C1=CC=CC=C1
39	Approved	SmallMoleculeDrug	DB01210	Levobunolol	CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCCC2=O
40	Approved	SmallMoleculeDrug	DB00841	Dobutamine	CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1
41	Approved	SmallMoleculeDrug	DB09080	Olodaterol	COC1=CC=C(CC(C)(C)NC[C@H](O)C2=C3OCC(=O)NC3=CC(O)=C2)C=C1
42	Experimental; Investigational	SmallMoleculeDrug	DB06726	Bufuralol	CCC1=CC=CC2=C1OC(=C2)C(O)CNC(C)(C)C
43	Approved	SmallMoleculeDrug	DB01580	Oxprenolol	CC(C)NCC(O)COC1=CC=CC=C1OCC=C
44	Approved; Investigational	SmallMoleculeDrug	DB09273	Doxofylline	CN1C2=C(N(CC3OCCO3)C=N2)C(=O)N(C)C1=O
45	Investigational	SmallMoleculeDrug	DB12248	Tulobuterol	CC(C)(C)NCC(O)C1=CC=CC=C1Cl
46	Approved; Vet approved	SmallMoleculeDrug	DB00668	Epinephrine	CNC[C@H](O)C1=CC(O)=C(O)C=C1
47	Approved; Vet approved	SmallMoleculeDrug	DB06814	Protokylol	CC(CC1=CC=C2OCOC2=C1)NCC(O)C1=CC=C(O)C(O)=C1
48	Approved	SmallMoleculeDrug	DB00612	Bisoprolol	CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1
49	Approved	SmallMoleculeDrug	DB11124	Racepinephrine	NA
50	Approved	SmallMoleculeDrug	DB01203	Nadolol	CC(C)(C)NCC(O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2
51	Approved	SmallMoleculeDrug	DB00871	Terbutaline	CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1
52	Approved; Investigational	SmallMoleculeDrug	DB01366	Procaterol	CC[C@H](NC(C)C)[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1
53	Experimental	SmallMoleculeDrug	DB07543	(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol	[H][C@](O)(CNC(C)C)COC1=CC=CC2=C1C1=C(N2)C=CC=C1
54	Approved	SmallMoleculeDrug	DB00489	Sotalol	CC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C1
55	Approved; Investigational	SmallMoleculeDrug	DB01136	Carvedilol	COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2
56	Approved	SmallMoleculeDrug	DB00449	Dipivefrin	CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1
57	Approved	SmallMoleculeDrug	DB00335	Atenolol	CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1
58	Approved; Vet approved	SmallMoleculeDrug	DB01001	Salbutamol	CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1
59	Experimental	SmallMoleculeDrug	DB01917	Putrescine	NCCCCN
60	Approved	SmallMoleculeDrug	DB00726	Trimipramine	CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12
61	Approved; Investigational	SmallMoleculeDrug	DB00264	Metoprolol	COCCC1=CC=C(OCC(O)CNC(C)C)C=C1
62	Approved	SmallMoleculeDrug	DB06216	Asenapine	OC(=O)\C=C/C(O)=O.CN1CC2C(C1)C1=C(OC3=CC=CC=C23)C=CC(Cl)=C1
63	Approved	SmallMoleculeDrug	DB00217	Bethanidine	CN\C(NCC1=CC=CC=C1)=N/C
64	Approved; Investigational	SmallMoleculeDrug	DB01064	Isoprenaline	CC(C)NCC(O)C1=CC(O)=C(O)C=C1
65	Approved; Investigational	SmallMoleculeDrug	DB01408	Bambuterol	CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C
66	Approved; Investigational	SmallMoleculeDrug	DB00983	Formoterol	COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1
67	Approved	SmallMoleculeDrug	DB11273	Dihydroergocornine	[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C
68	Approved	SmallMoleculeDrug	DB00938	Salmeterol	OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1
69	Approved	SmallMoleculeDrug	DB00373	Timolol	[H][C@](O)(CNC(C)(C)C)COC1=NSN=C1N1CCOCC1
70	Approved	SmallMoleculeDrug	DB01291	Pirbuterol	CC(C)(C)NCC(O)C1=NC(CO)=C(O)C=C1
71	Approved	SmallMoleculeDrug	DB01049	Ergoloid mesylate	NA
72	Approved	SmallMoleculeDrug	DB00598	Labetalol	CC(CCC1=CC=CC=C1)NCC(O)C1=CC(C(N)=O)=C(O)C=C1
73	Investigational	SmallMoleculeDrug	DB05849	NCX 950	NA
74	Approved; Illicit; Investigational	SmallMoleculeDrug	DB00182	Amphetamine	CC(N)CC1=CC=CC=C1
75	Approved; Nutraceutical; Withdrawn	SmallMoleculeDrug	DB01363	Ephedra	NA
76	Approved	SmallMoleculeDrug	DB11278	DL-Methylephedrine	C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C
77	Approved	SmallMoleculeDrug	DB00925	Phenoxybenzamine	CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1
78	Approved; Investigational	SmallMoleculeDrug	DB01151	Desipramine	CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12
79	Approved; Investigational	SmallMoleculeDrug	DB00334	Olanzapine	CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2
80	Approved; Investigational	SmallMoleculeDrug	DB06262	Droxidopa	N[C@@H]([C@H](O)C1=CC(O)=C(O)C=C1)C(O)=O
81	Approved	SmallMoleculeDrug	DB00221	Isoetarine	CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image	Confidence score
1	Approved	SmallMoleculeDrug	DB00408	Loxapine	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2		82.8%
2	Experimental	SmallMoleculeDrug	DB13781	Xamoterol	OC(CNCCN=C(O)N1CCOCC1)COC1=CC=C(O)C=C1		78.4%
3	Approved	SmallMoleculeDrug	DB04855	Dronedarone	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2		74.5%
4	Approved; Investigational	SmallMoleculeDrug	DB09068	Vortioxetine	CC1=CC=C(SC2=CC=CC=C2N2CCNCC2)C(C)=C1		72.5%
5	Approved	SmallMoleculeDrug	DB01297	Practolol	CC(C)NCC(O)COC1=CC=C(NC(C)=O)C=C1		72.2%
6	Experimental	SmallMoleculeDrug	DB08347	4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile	CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CC(=N2)C#N		71.3%
7	Approved; Investigational	SmallMoleculeDrug	DB09351	Levobetaxolol	CC(C)NC[C@H](O)COC1=CC=C(CCOCC2CC2)C=C1		71.2%
8	Approved	SmallMoleculeDrug	DB00187	Esmolol	COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1		70.5%
9	Approved	SmallMoleculeDrug	DB00457	Prazosin	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1		69.2%
10	Experimental	SmallMoleculeDrug	DB08558	2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL	[H][C@]1(CO)O[C@@]([H])(SCCCCCCCC)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O		69.1%
11	Approved; Investigational	SmallMoleculeDrug	DB00555	Lamotrigine	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1		67.5%
12	Approved	SmallMoleculeDrug	DB00696	Ergotamine	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O		66.9%
13	Approved; Investigational	SmallMoleculeDrug	DB13025	Tiapride	CCN(CC)CCN=C(O)C1=C(OC)C=CC(=C1)S(C)(=O)=O		65.7%
14	Approved; Investigational	SmallMoleculeDrug	DB09229	Aranidipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O		65.5%
15	Approved; Investigational	SmallMoleculeDrug	DB14185	Aripiprazole lauroxil	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12		65.2%
16	Approved; Investigational	SmallMoleculeDrug	DB01238	Aripiprazole	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl		65.0%
17	Approved	SmallMoleculeDrug	DB01162	Terazosin	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1		64.5%
18	Approved; Investigational	SmallMoleculeDrug	DB01142	Doxepin	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12		64.5%
19	Approved	SmallMoleculeDrug	DB11577	Indigotindisulfonic Acid	OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1		64.5%
20	Approved; Investigational; Vet approved; Withdrawn	SmallMoleculeDrug	DB01186	Pergolide	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC		64.1%