SCHEMBL17656295 — predicted protein targets

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	7/20	0.47

▸	CYP2C9	P11712	6/20	0.47

▸	KCNH2	Q12809	5/20	0.47

▸	NR1I2	O75469	2/20	0.47

▸	ABCB11	O95342	1/20	0.47

▸	OPRK1	P41145	1/20	0.47

▸	CYP1A2	P05177	3/20	0.44

▸	CYP2D6	P10635	2/20	0.43

▸	PRCP	P42785	1/20	0.38

▸	PDF	Q9HBH1	3/20	0.34

▸	GSK3B	P49841	1/20	0.32

▸	DYRK1A	Q13627	1/20	0.32

▸	HDAC8	Q9BY41	2/20	0.31

▸	HDAC6	Q9UBN7	2/20	0.31

▸	HDAC3	O15379	1/20	0.30

▸	HDAC1	Q13547	1/20	0.30

▸	HDAC2	Q92769	1/20	0.30

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
SCHEMBL204788	0.92	CYP3A4 (0.57)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15368433	0.92	CYP3A4 (0.57)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2707557	0.92	CYP3A4 (0.57)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3763658	0.91	CYP3A4 (0.46)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2708868	0.87	CYP3A4 (0.62)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15368522	0.85	PRCP (0.42)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL204522	0.85	CYP3A4 (0.64)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL18463098	0.85	CYP3A4 (0.64)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2710862	0.85	CYP3A4 (0.64)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL14982507	0.84	CYP3A4 (0.58)	CYP3A4CYP2C9KCNH2NR1I2ABCB11

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
EP-3002281-A1	ANTIVIRAL COMPOUNDS	Gilead Pharmasset LLC (US)	2016-04-06	—	—	EP	disclosed