SCHEMBL4795652 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	1/20	0.37

▸	PDE4D	Q08499	9/20	0.36

▸	KDM4E	B2RXH2	2/20	0.34

▸	NPC1	O15118	1/20	0.34

▸	MAPT	P10636	1/20	0.34

▸	CASP3	P42574	1/20	0.34

▸	RAB9A	P51151	1/20	0.34

▸	SENP8	Q96LD8	1/20	0.34

▸	SENP7	Q9BQF6	1/20	0.34

▸	SENP6	Q9GZR1	1/20	0.34

▸	HTT	P42858	1/20	0.33

▸	ATM	Q13315	1/20	0.33

▸	IKBKB	O14920	1/20	0.32

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
SCHEMBL4795648	1.00	ALDH1A1 (0.37)	ALDH1A1PDE4DKDM4ENPC1MAPT
SCHEMBL4844797	0.94	PDE4D (0.35)	ALDH1A1PDE4DKDM4ENPC1MAPT
SCHEMBL4844784	0.94	PDE4D (0.35)	ALDH1A1PDE4DKDM4ENPC1MAPT
SCHEMBL4780473	0.93	ALDH1A1 (0.38)	ALDH1A1PDE4DKDM4E
SCHEMBL4780478	0.93	ALDH1A1 (0.38)	ALDH1A1PDE4DKDM4E
SCHEMBL4779299	0.86	CYP2E1 (0.33)	ALDH1A1PDE4DNPC1MAPTRAB9A
SCHEMBL4779290	0.86	CYP2E1 (0.33)	ALDH1A1PDE4DNPC1MAPTRAB9A
SCHEMBL4795076	0.86	ALDH1A1 (0.38)	ALDH1A1PDE4DKDM4EMAPTHTT
SCHEMBL4795067	0.86	ALDH1A1 (0.38)	ALDH1A1PDE4DKDM4EMAPTHTT
SCHEMBL4148408	0.86	PDE4D (0.39)	PDE4DKDM4ENPC1MAPTCASP3

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-2008017688-A1	2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS	SMITHKLINE BEECHAM CORPORATION (US)	2008-02-14	—	—	WO	disclosed