SCHEMBL806818 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	POLA1	P09884	6/20	0.41

▸	CYP3A4	P08684	2/20	0.40

▸	ALDH1A1	P00352	1/20	0.40

▸	NR1H2	P55055	8/20	0.39

▸	NR1H3	Q13133	8/20	0.39

▸	CYP2C9	P11712	1/20	0.39

▸	TSHR	P16473	1/20	0.39

▸	CYP2C19	P33261	1/20	0.39

▸	PDE4D	Q08499	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
SCHEMBL15980588	1.00	POLA1 (0.41)	POLA1CYP3A4ALDH1A1NR1H2NR1H3
SCHEMBL15978419	0.82	CYP3A4 (0.43)	POLA1CYP3A4ALDH1A1NR1H2NR1H3
SCHEMBL806727	0.82	SRD5A1 (0.46)	NR1H2NR1H3
SCHEMBL15978295	0.82	SRD5A1 (0.46)	NR1H2NR1H3
SCHEMBL806502	0.82	POLA1 (0.63)	POLA1CYP3A4ALDH1A1NR1H2NR1H3
SCHEMBL15978299	0.82	POLA1 (0.63)	POLA1CYP3A4ALDH1A1NR1H2NR1H3
SCHEMBL15978371	0.77	POLA1 (0.48)	POLA1CYP3A4NR1H2NR1H3CYP2C9
SCHEMBL806501	0.77	POLA1 (0.48)	POLA1CYP3A4NR1H2NR1H3CYP2C9
SCHEMBL15978302	0.77	POLA1 (0.46)	POLA1CYP3A4NR1H2NR1H3CYP2C9
SCHEMBL15978307	0.73	SRD5A1 (0.41)	NR1H2NR1H3

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-2012037069-A2	UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY	THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US)	2012-03-22	—	—	WO	disclosed