QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: Q96SW2

No. Gene UniProt ID Protein Name Pathway PDB

1 CRBN Q96SW2 Protein cereblon NA 4M91; 4TZ4

3 known interactions (drugs) of input target (CRBN): Protein cereblon

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved	SmallMoleculeDrug	DB08910	Pomalidomide	NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O
2	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB01041	Thalidomide	O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12
3	Approved	SmallMoleculeDrug	DB00480	Lenalidomide	NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O

20 predicted interactions (drugs) of input target (CRBN): Protein cereblon

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Experimental	SmallMoleculeDrug	DB02379	Beta-D-Glucose	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	25.6%
2	Approved	BiotechDrug	DB10772	Foreskin keratinocyte (neonatal)	NA	24.5%
3	Approved; Nutraceutical	SmallMoleculeDrug	DB13961	Fish oil	NA	24.2%
4	Investigational	SmallMoleculeDrug	DB05767	Andrographolide	[H]\C(C[C@]1([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@]([H])(O)CC[C@@]12C)=C1/C(=O)OC[C@@]1([H])O	23.7%
5	Investigational	SmallMoleculeDrug	DB05744	CRx-139	NA	21.0%
6	Approved	SmallMoleculeDrug	DB11348	Calcium Phosphate	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O	20.0%
7	Approved; Investigational	SmallMoleculeDrug	DB09213	Dexibuprofen	[H][C@@](C)(C(O)=O)C1=CC=C(CC(C)C)C=C1	19.0%
8	Experimental	SmallMoleculeDrug	DB04137	Guanosine-5'-Triphosphate	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1	18.7%
9	Approved	SmallMoleculeDrug	DB00244	Mesalazine	NC1=CC(C(O)=O)=C(O)C=C1	18.5%
10	Approved; Investigational	SmallMoleculeDrug	DB01296	Glucosamine	N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O	18.5%
11	Approved	SmallMoleculeDrug	DB00852	Pseudoephedrine	CN[C@@H](C)[C@@H](O)C1=CC=CC=C1	18.2%
12	Investigational	SmallMoleculeDrug	DB12140	Dilmapimod	CC1=CC(F)=CC=C1C1=C2C=CC(=O)N(C2=NC(NC(CO)CO)=N1)C1=C(F)C=CC=C1F	18.0%
13	Investigational	SmallMoleculeDrug	DB05095	Cimicoxib	COC1=C(F)C=C(C=C1)C1=C(Cl)N=CN1C1=CC=C(C=C1)S(N)(=O)=O	17.3%
14	Experimental; Investigational	SmallMoleculeDrug	DB08838	Agmatine	NCCCCNC(N)=N	17.3%
15	Approved; Vet approved	SmallMoleculeDrug	DB00945	Acetylsalicylic acid	CC(=O)OC1=CC=CC=C1C(O)=O	17.1%
16	Investigational	SmallMoleculeDrug	DB05207	SD118	NA	17.0%
17	Approved	SmallMoleculeDrug	DB00469	Tenoxicam	CN1C(C(=O)NC2=CC=CC=N2)=C(O)C2=C(C=CS2)S1(=O)=O	16.7%
18	Approved; Investigational	SmallMoleculeDrug	DB11582	Thiocolchicoside	COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2CC[C@H](NC(C)=O)C3=CC(=O)C(SC)=CC=C3C2=C1OC	16.5%
19	Investigational	BiotechDrug	DB05758	CYT007-TNFQb	NA	16.4%
20	Experimental	SmallMoleculeDrug	DB01915	S-Hydroxycysteine	N[C@@H](CSO)C(O)=O	16.3%