SCHEMBL5166446 — predicted protein targets

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	RAB9A	P51151	4/20	0.37

▸	SMN1; SMN2	Q16637	4/20	0.37

▸	NPC1	O15118	3/20	0.37

▸	LTA4H	P09960	4/20	0.37

▸	NPY5R	Q15761	1/20	0.37

▸	NOX1	Q9Y5S8	2/20	0.36

▸	ALDH1A1	P00352	3/20	0.35

▸	ITGB3	P05106	1/20	0.34

▸	ITGA2B	P08514	1/20	0.34

▸	KCNA5	P22460	1/20	0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL4318258	0.88	LTA4H (0.43)	RAB9ASMN1; SMN2NPC1LTA4HNPY5R
SCHEMBL4318259	0.88	LTA4H (0.43)	RAB9ASMN1; SMN2NPC1LTA4HNPY5R
SCHEMBL4318292	0.78	LTA4H (0.47)	RAB9ASMN1; SMN2NPC1LTA4HALDH1A1
SCHEMBL4318290	0.78	LTA4H (0.47)	RAB9ASMN1; SMN2NPC1LTA4HALDH1A1
SCHEMBL5165756	0.76	LTA4H (0.45)	RAB9ASMN1; SMN2NPC1LTA4HNPY5R
Trifluoroacetic Acid SCHEMBL4323809	0.75	LTA4H (0.47)	RAB9ASMN1; SMN2NPC1LTA4HALDH1A1
Trifluoroacetic Acid SCHEMBL4323806	0.75	LTA4H (0.47)	RAB9ASMN1; SMN2NPC1LTA4HALDH1A1
SCHEMBL4315149	0.69	PDK1 (0.46)	LTA4H
SCHEMBL4315147	0.69	PDK1 (0.46)	LTA4H
SCHEMBL4322605	0.69	LTA4H (0.52)	RAB9ASMN1; SMN2NPC1LTA4HALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1771428-A1	GUANIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF	MERCK PATENT GmbH (DE)	2007-04-11	—	—	EP	disclosed
WO-2006010422-A1	GUANIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF	MERCK PATENT GMBH (DE)	2006-02-02	—	—	WO	disclosed