SCHEMBL24279353 — predicted protein targets

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CYP2A6	P11509	1/20	0.41

▸	PDK2	Q15119	7/20	0.37

▸	PGR	P06401	5/20	0.36

▸	CYP1A2	P05177	1/20	0.33

▸	CYP3A4	P08684	1/20	0.33

▸	CYP2D6	P10635	1/20	0.33

▸	CYP2C9	P11712	1/20	0.33

▸	RARB	P10826	1/20	0.32

▸	RARG	P13631	1/20	0.32

▸	RXRA	P19793	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
SCHEMBL26602867	0.90	CYP2A6 (0.47)	CYP2A6PDK2PGR
SCHEMBL24279329	0.89	PDK2 (0.40)	CYP2A6PDK2PGR
SCHEMBL24279356	0.89	PDK2 (0.40)	CYP2A6PDK2PGR
SCHEMBL31616077	0.87	CYP2A6 (0.47)	CYP2A6PDK2PGR
SCHEMBL24279331	0.87	PDK2 (0.39)	CYP2A6PDK2PGR
SCHEMBL29456914	0.84	ALDH1A1 (0.40)	CYP2A6PDK2PGR
SCHEMBL22271342	0.84	ALDH1A1 (0.40)	CYP2A6PDK2PGR
SCHEMBL27018502	0.84	CYP2A6 (0.44)	CYP2A6PDK2PGR
SCHEMBL24285170	0.82	PDK2 (0.40)	CYP2A6PDK2PGR
SCHEMBL25540973	0.82	PGR (0.47)	PDK2PGR

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-2022075746-A1	COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF	덕산네오룩스 주식회사	2022-04-14	—	—	WO	disclosed