SCHEMBL8298780 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ITGAL	P20701	6/20	0.49

▸	ITGB2	P05107	5/20	0.49

▸	ICAM1	P05362	5/20	0.49

▸	CAPN1	P07384	4/20	0.46

▸	NPC1	O15118	4/20	0.40

▸	RAB9A	P51151	4/20	0.40

▸	SMN1; SMN2	Q16637	2/20	0.40

▸	MEN1	O00255	1/20	0.39

▸	KMT2A	Q03164	1/20	0.39

▸	POLB	P06746	2/20	0.37

▸	APOBEC3A	P31941	1/20	0.37

▸	APOBEC3G	Q9HC16	1/20	0.37

▸	ALDH1A1	P00352	2/20	0.37

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
SCHEMBL6498784	1.00	ITGAL (0.49)	ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6498788	1.00	ITGAL (0.49)	ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6495421	0.90	CAPN1 (0.47)	ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6495429	0.90	CAPN1 (0.47)	ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8296933	0.90	CAPN1 (0.47)	ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6503640	0.90	ITGAL (0.51)	ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8297134	0.90	ITGAL (0.51)	ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6503636	0.90	ITGAL (0.51)	ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6497517	0.89	ITGAL (0.50)	ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8296268	0.89	ITGAL (0.50)	ITGALITGB2ICAM1CAPN1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2005016883-A2	ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF	ICOS CORPORATION (US)	2005-02-24	—	—	WO	disclosed