SCHEMBL28679902 — predicted protein targets

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CYP2C19	P33261	1/20	0.40

▸	POLB	P06746	1/20	0.39

▸	BLM	P54132	1/20	0.39

▸	ATM	Q13315	1/20	0.39

▸	TSHR	P16473	1/20	0.32

▸	ALDH1A1	P00352	1/20	0.31

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
SCHEMBL12080703	0.88	CYP2C19 (0.38)	CYP2C19POLBBLMATMTSHR
SCHEMBL3656326	0.80	CYP2C19 (0.41)	CYP2C19POLBBLMATM
SCHEMBL707980	0.78	ALDH1A1 (0.37)	TSHRALDH1A1
SCHEMBL3680496	0.77	CYP2C19 (0.39)	CYP2C19POLBBLMATMALDH1A1
SCHEMBL28346356	0.75	CYP2C19 (0.38)	CYP2C19POLBBLMATMTSHR
SCHEMBL703686	0.74	KDM4E (0.36)	TSHRALDH1A1
SCHEMBL17069681	0.74	CYP2C19 (0.48)	CYP2C19POLBBLMATMTSHR
SCHEMBL704685	0.74	KDM4E (0.36)	TSHRALDH1A1
SCHEMBL29211203	0.74	CYP2C19 (0.36)	CYP2C19POLBBLMATM
SCHEMBL229663	0.72	ALDH1A1 (0.38)	TSHRALDH1A1

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
CN-113795499-A	Process for producing alkoxysilyl group-containing thiocarboxylic ester	迈图高新材料公司	2021-12-14	—	—	CN	claimed
CN-113795499-A	Process for producing alkoxysilyl group-containing thiocarboxylic ester	迈图高新材料公司	2021-12-14	—	—	CN	disclosed