Results

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Compound	Target ID	Protein name	Protein family	Gene symbol	Gene ID	Organism	Score	Rank
[1] Untitled Original SMILES: N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C)C(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCCN)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCCN)C(=O)O Prepared SMILES: NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCCN)CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C	P00734	Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...	Peptidase S1 family	F2	2147;	Homo sapiens (Human)	3.52572	1
	P41143	Delta-type opioid receptor (D-OR-1) (DOR-1)	G-protein coupled receptor 1 family	OPRD1	4985;	Homo sapiens (Human)	3.3038	2
	Q13490	Baculoviral IAP repeat-containing protein 2 (EC 2.3.2.27) (Cellular inhibitor of ...	IAP family	BIRC2	329;	Homo sapiens (Human)	3.15821	3
	P12821	Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...	Peptidase M2 family	ACE	1636;	Homo sapiens (Human)	2.93266	4
	P13866	Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) ...	Sodium:solute symporter (SSF) (TC 2.A.21) family	SLC5A1	6523;	Homo sapiens (Human)	2.92892	5
	Q13489	Baculoviral IAP repeat-containing protein 3 (EC 2.3.2.27) (Apoptosis inhibitor 2) ...	IAP family	BIRC3	330;	Homo sapiens (Human)	2.75764	6
	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)	2.75327	7
	Q13547	Histone deacetylase 1 (HD1) (EC 3.5.1.98)	Histone deacetylase family, HD type 1 subfamily	HDAC1	3065;	Homo sapiens (Human)	2.72097	8
	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)	2.52645	9
	Q16581	C3a anaphylatoxin chemotactic receptor (C3AR) (C3a-R)	G-protein coupled receptor 1 family	C3AR1	719;	Homo sapiens (Human)	2.46959	10
	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)	2.36516	11
	P00374	Dihydrofolate reductase (EC 1.5.1.3)	Dihydrofolate reductase family	DHFR	1719;	Homo sapiens (Human)	2.28213	12
	P41145	Kappa-type opioid receptor (K-OR-1) (KOR-1)	G-protein coupled receptor 1 family	OPRK1	4986;	Homo sapiens (Human)	2.16941	13
	P98170	E3 ubiquitin-protein ligase XIAP (EC 2.3.2.27) (Baculoviral IAP repeat-containing protein ...	IAP family	XIAP	331;	Homo sapiens (Human)	2.13834	14
	Q8TDS5	Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...	G-protein coupled receptor 1 family	OXER1	165140;	Homo sapiens (Human)	2.13435	15
	P34913	Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...	AB hydrolase superfamily, Epoxide hydrolase family	EPHX2	2053;	Homo sapiens (Human)	2.0537	16
	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)	2.02654	17
	P09960	Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)	Peptidase M1 family	LTA4H	4048;	Homo sapiens (Human)	1.98035	18
	P56524	Histone deacetylase 4 (HD4) (EC 3.5.1.98)	Histone deacetylase family, HD type 2 subfamily	HDAC4	9759;	Homo sapiens (Human)	1.93056	19
	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)	1.91529	20
	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)	1.88512	21
	P08473	Neprilysin (EC 3.4.24.11) (Atriopeptidase) (Common acute lymphocytic leukemia antigen) (CALLA) ...	Peptidase M13 family	MME	4311;	Homo sapiens (Human)	1.86787	22
	Q9H244	P2Y purinoceptor 12 (P2Y12) (ADP-glucose receptor) (ADPG-R) (P2T(AC)) (P2Y(AC)) (P2Y(cyc)) ...	G-protein coupled receptor 1 family	P2RY12	64805;	Homo sapiens (Human)	1.8194	23
	Q9UNI1	Chymotrypsin-like elastase family member 1 (EC 3.4.21.36) (Elastase-1) (Pancreatic elastase ...	Peptidase S1 family, Elastase subfamily	CELA1	1990;	Homo sapiens (Human)	1.80705	24
	P49356	Protein farnesyltransferase subunit beta (FTase-beta) (EC 2.5.1.58) (CAAX farnesyltransferase subunit ...	Protein prenyltransferase subunit beta family	FNTB	100529261;2342;	Homo sapiens (Human)	1.79581	25
	P01213	Proenkephalin-B (Beta-neoendorphin-dynorphin) (Preprodynorphin) [Cleaved into: Alpha-neoendorphin; Beta-neoendorphin; Big dynorphin (Big ...	Opioid neuropeptide precursor family	PDYN	5173;	Homo sapiens (Human)	1.71942	26
	Q9UIQ6	Leucyl-cystinyl aminopeptidase (Cystinyl aminopeptidase) (EC 3.4.11.3) (Insulin-regulated membrane aminopeptidase) (Insulin-responsive ...	Peptidase M1 family	LNPEP	4012;	Homo sapiens (Human)	1.69729	27
	P29466	Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting ...	Peptidase C14A family	CASP1	834;	Homo sapiens (Human)	1.68142	28
	P35408	Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...	G-protein coupled receptor 1 family	PTGER4	5734;	Homo sapiens (Human)	1.67666	29
	P07099	Epoxide hydrolase 1 (EC 3.3.2.9) (Epoxide hydratase) (Microsomal epoxide hydrolase) ...	Peptidase S33 family	EPHX1	2052;	Homo sapiens (Human)	1.67122	30
	P25103	Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)	G-protein coupled receptor 1 family	TACR1	6869;	Homo sapiens (Human)	1.65413	31
	Q04609	Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ...	Peptidase M28 family, M28B subfamily	FOLH1	2346;	Homo sapiens (Human)	1.65132	32
	P07477	Trypsin-1 (EC 3.4.21.4) (Beta-trypsin) (Cationic trypsinogen) (Serine protease 1) (Trypsin ...	Peptidase S1 family	PRSS1	5644;	Homo sapiens (Human)	1.63213	33
	P50406	5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)	G-protein coupled receptor 1 family	HTR6	3362;	Homo sapiens (Human)	1.59777	34
	Q9Y3Q0	N-acetylated-alpha-linked acidic dipeptidase 2 (EC 3.4.17.21) (Glutamate carboxypeptidase III) (GCPIII) ...	Peptidase M28 family, M28B subfamily	NAALAD2	10003;	Homo sapiens (Human)	1.58687	35
	P28845	Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) ...	Short-chain dehydrogenases/reductases (SDR) family	HSD11B1	3290;	Homo sapiens (Human)	1.58041	36
	P21731	Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)	G-protein coupled receptor 1 family	TBXA2R	6915;	Homo sapiens (Human)	1.55758	37
	P43235	Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)	Peptidase C1 family	CTSK	1513;	Homo sapiens (Human)	1.53447	38
	P32239	Gastrin/cholecystokinin type B receptor (CCK-B receptor) (CCK-BR) (Cholecystokinin-2 receptor) (CCK2-R)	G-protein coupled receptor 1 family	CCKBR	887;	Homo sapiens (Human)	1.50448	39
	P27487	Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ...	Peptidase S9B family, DPPIV subfamily	DPP4	1803;	Homo sapiens (Human)	1.49802	40
	P00742	Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ...	Peptidase S1 family	F10	2159;	Homo sapiens (Human)	1.44952	41
	P25101	Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)	G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamily	EDNRA	1909;	Homo sapiens (Human)	1.42752	42
	P14324	Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate ...	FPP/GGPP synthase family	FDPS	2224;	Homo sapiens (Human)	1.42256	43
	Q92847	Growth hormone secretagogue receptor type 1 (GHS-R) (GH-releasing peptide receptor) ...	G-protein coupled receptor 1 family	GHSR	2693;	Homo sapiens (Human)	1.35222	44
	Q96P09	Baculoviral IAP repeat-containing protein 8 (Inhibitor of apoptosis-like protein 2) ...	IAP family	BIRC8	112401;	Homo sapiens (Human)	1.34929	45
	Q9NPC1	Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) ...	G-protein coupled receptor 1 family	LTB4R2	56413;	Homo sapiens (Human)	1.32774	46
	P55212	Caspase-6 (CASP-6) (EC 3.4.22.59) (Apoptotic protease Mch-2) [Cleaved into: Caspase-6 ...	Peptidase C14A family	CASP6	839;	Homo sapiens (Human)	1.31892	47
	P25774	Cathepsin S (EC 3.4.22.27)	Peptidase C1 family	CTSS	1520;	Homo sapiens (Human)	1.31567	48
	Q9Y5N1	Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)	G-protein coupled receptor 1 family	HRH3	11255;	Homo sapiens (Human)	1.29176	49
	Q9Y5Y4	Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ...	G-protein coupled receptor 1 family	PTGDR2	11251;	Homo sapiens (Human)	1.25414	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
20696	2026-02-10 09:04:59	Target proteins	Weighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)	Global drug-target interaction (DTI) network (version 2020)	Morgan fingerprint, similar to FCFP_4 Download	α = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50	Download

Results

[1] Untitled

Job Information