SCHEMBL21094092 — predicted protein targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	GABRA5	P31644	2/20	0.40

▸	HPGDS	O60760	2/20	0.40

▸	GRIN2B	Q13224	1/20	0.40

▸	MAP4K4	O95819	2/20	0.39

▸	NPC1	O15118	1/20	0.39

▸	RAB9A	P51151	1/20	0.39

▸	SSTR4	P31391	1/20	0.39

▸	NPR1	P16066	3/20	0.38

▸	ATM	Q13315	2/20	0.38

▸	RXFP1	Q9HBX9	1/20	0.37

▸	BRD4	O60885	1/20	0.37

▸	EPHX2	P34913	1/20	0.36

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
SCHEMBL21094410	0.89	NPC1 (0.40)	NPC1RAB9AATM
SCHEMBL21094394	0.88	NPC1 (0.41)	NPC1RAB9AATMBRD4EPHX2
SCHEMBL21094393	0.85	NPC1 (0.40)	NPC1RAB9AATM
SCHEMBL21094397	0.84	NPC1 (0.39)	HPGDSNPC1RAB9AATM
SCHEMBL21094086	0.83	NPC1 (0.40)	NPC1RAB9AATMRXFP1
SCHEMBL21093670	0.83	TRPM8 (0.43)	NPC1RAB9AATM
SCHEMBL21094386	0.83	RIPK1 (0.38)	GRIN2BNPC1RAB9AATM
SCHEMBL21094405	0.78	PKM (0.40)	NPC1RAB9AATM
SCHEMBL21093657	0.76	CA1 (0.43)	NPC1RAB9A
SCHEMBL20835498	0.72	CHRNB4 (0.46)	ATM

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-2019112024-A1	PYRROLIDINE COMPOUND	キッセイ薬品工業株式会社	2019-06-13	—	—	WO	disclosed