Results

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Compound	Target ID	Protein name	Protein family	Gene symbol	Gene ID	Organism	Score	Rank
[1] Untitled Original SMILES: C(CC)(CCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)C(NC(=O)[C@@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CC(C)C)NC(=O)C(CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O)[C@@H](C)O)C Prepared SMILES: NCC[C@@H](C(=O)N[C@H]1CCNC(=O)C(NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CCCC(CC)C)CCN	P35372	Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...	G-protein coupled receptor 1 family	OPRM1	4988;	Homo sapiens (Human)	0.0309688	1
	P78352	Disks large homolog 4 (Postsynaptic density protein 95) (PSD-95) (Synapse-associated ...	MAGUK family	DLG4	1742;	Homo sapiens (Human)	0.028612	2
	Q9NUW8	Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)	Tyrosyl-DNA phosphodiesterase family	TDP1	55775;	Homo sapiens (Human)	0.0277012	3
	P41143	Delta-type opioid receptor (D-OR-1) (DOR-1)	G-protein coupled receptor 1 family	OPRD1	4985;	Homo sapiens (Human)	0.0258139	4
	P34913	Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...	AB hydrolase superfamily, Epoxide hydrolase family	EPHX2	2053;	Homo sapiens (Human)	0.0244059	5
	P21554	Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)	G-protein coupled receptor 1 family	CNR1	1268;	Homo sapiens (Human)	0.0218324	6
	P08684	Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole ...	Cytochrome P450 family	CYP3A4	1576;	Homo sapiens (Human)	0.0204333	7
	P34972	Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)	G-protein coupled receptor 1 family	CNR2	1269;	Homo sapiens (Human)	0.0190146	8
	P41145	Kappa-type opioid receptor (K-OR-1) (KOR-1)	G-protein coupled receptor 1 family	OPRK1	4986;	Homo sapiens (Human)	0.0189882	9
	Q13547	Histone deacetylase 1 (HD1) (EC 3.5.1.98)	Histone deacetylase family, HD type 1 subfamily	HDAC1	3065;	Homo sapiens (Human)	0.0187799	10
	P25774	Cathepsin S (EC 3.4.22.27)	Peptidase C1 family	CTSS	1520;	Homo sapiens (Human)	0.0175189	11
	P28223	5-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)	G-protein coupled receptor 1 family	HTR2A	3356;	Homo sapiens (Human)	0.0173302	12
	P23975	Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...	Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamily	SLC6A2	6530;	Homo sapiens (Human)	0.0172259	13
	P31645	Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...	Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamily	SLC6A4	6532;	Homo sapiens (Human)	0.0171092	14
	P28074	Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...	Peptidase T1B family	PSMB5	5693;	Homo sapiens (Human)	0.0170213	15
	P14416	D(2) dopamine receptor (Dopamine D2 receptor)	G-protein coupled receptor 1 family	DRD2	1813;	Homo sapiens (Human)	0.0151485	16
	P43235	Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)	Peptidase C1 family	CTSK	1513;	Homo sapiens (Human)	0.0147127	17
	P00918	Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA2	760;	Homo sapiens (Human)	0.0145862	18
	P07858	Cathepsin B (EC 3.4.22.1) (APP secretase) (APPS) (Cathepsin B1) [Cleaved ...	Peptidase C1 family	CTSB	1508;	Homo sapiens (Human)	0.0138691	19
	Q01959	Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...	Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamily	SLC6A3	6531;	Homo sapiens (Human)	0.0138592	20
	P35462	D(3) dopamine receptor (Dopamine D3 receptor)	G-protein coupled receptor 1 family	DRD3	1814;	Homo sapiens (Human)	0.0137415	21
	P28335	5-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...	G-protein coupled receptor 1 family	HTR2C	3358;	Homo sapiens (Human)	0.0136751	22
	P00734	Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...	Peptidase S1 family	F2	2147;	Homo sapiens (Human)	0.0136003	23
	Q8NER1	Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...	Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamily	TRPV1	7442;	Homo sapiens (Human)	0.0131363	24
	P03956	Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ...	Peptidase M10A family	MMP1	4312;	Homo sapiens (Human)	0.0131348	25
	P41595	5-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)	G-protein coupled receptor 1 family	HTR2B	3357;	Homo sapiens (Human)	0.0130774	26
	P08908	5-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)	G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamily	HTR1A	3350;	Homo sapiens (Human)	0.0128996	27
	P10635	Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...	Cytochrome P450 family	CYP2D6	1565;	Homo sapiens (Human)	0.0127131	28
	P48039	Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)	G-protein coupled receptor 1 family	MTNR1A	4543;	Homo sapiens (Human)	0.0122711	29
	Q16790	Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA9	768;	Homo sapiens (Human)	0.0122508	30
	P49286	Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)	G-protein coupled receptor 1 family	MTNR1B	4544;	Homo sapiens (Human)	0.0120996	31
	Q96KQ7	Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ...	Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamily	EHMT2	10919;	Homo sapiens (Human)	0.0118854	32
	Q12809	Potassium voltage-gated channel subfamily H member 2 (Eag homolog) (Ether-a-go-go-related ...	Potassium channel family, H (Eag) (TC 1.A.1.20) subfamily, Kv11.1/KCNH2 sub-subfamily	KCNH2	3757;	Homo sapiens (Human)	0.0117837	33
	Q14790	Caspase-8 (CASP-8) (EC 3.4.22.61) (Apoptotic cysteine protease) (Apoptotic protease Mch-5) ...	Peptidase C14A family	CASP8	841;	Homo sapiens (Human)	0.0117182	34
	P08253	72 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ...	Peptidase M10A family	MMP2	4313;	Homo sapiens (Human)	0.0112774	35
	P11712	Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...	Cytochrome P450 family	CYP2C9	1559;	Homo sapiens (Human)	0.0107322	36
	Q9UBN7	Histone deacetylase 6 (HD6) (EC 3.5.1.98)	Histone deacetylase family, HD type 2 subfamily	HDAC6	10013;	Homo sapiens (Human)	0.0105925	37
	P05177	Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...	Cytochrome P450 family	CYP1A2	1544;	Homo sapiens (Human)	0.010463	38
	P08254	Stromelysin-1 (SL-1) (EC 3.4.24.17) (Matrix metalloproteinase-3) (MMP-3) (Transin-1)	Peptidase M10A family	MMP3	4314;	Homo sapiens (Human)	0.010082	39
	O43570	Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA12	771;	Homo sapiens (Human)	0.0100594	40
	P49841	Glycogen synthase kinase-3 beta (GSK-3 beta) (EC 2.7.11.26) (Serine/threonine-protein kinase ...	Protein kinase superfamily, CMGC Ser/Thr protein kinase family, GSK-3 subfamily	GSK3B	2932;	Homo sapiens (Human)	0.00996188	41
	P00915	Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA1	759;	Homo sapiens (Human)	0.00994825	42
	P61073	C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ...	G-protein coupled receptor 1 family	CXCR4	7852;	Homo sapiens (Human)	0.00985251	43
	P50406	5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)	G-protein coupled receptor 1 family	HTR6	3362;	Homo sapiens (Human)	0.00972364	44
	P43166	Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA7	766;	Homo sapiens (Human)	0.00971569	45
	P0DMS8	Adenosine receptor A3	G-protein coupled receptor 1 family	ADORA3	140;	Homo sapiens (Human)	0.00930932	46
	P30542	Adenosine receptor A1	G-protein coupled receptor 1 family	ADORA1	134;	Homo sapiens (Human)	0.00910514	47
	Q9ULX7	Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA14	23632;	Homo sapiens (Human)	0.00903605	48
	P24941	Cyclin-dependent kinase 2 (EC 2.7.11.22) (Cell division protein kinase 2) ...	Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamily	CDK2	1017;	Homo sapiens (Human)	0.00841463	49
	P08913	Alpha-2A adrenergic receptor (Alpha-2 adrenergic receptor subtype C10) (Alpha-2A adrenoreceptor) ...	G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2A sub-subfamily	ADRA2A	150;	Homo sapiens (Human)	0.00840856	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
19168	2025-11-17 16:10:38	Target proteins	Substructure-Drug-Target Network-Based Inference (SDTNBI)	Global drug-target interaction (DTI) network (version 2020)	Morgan fingerprint, similar to FCFP_4 Download	k = 2, Top 50	Download

Results

[1] Untitled

Job Information