SCHEMBL20051214 — predicted protein targets

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	AR	P10275	8/20	0.72

▸	LOXL2	Q9Y4K0	1/20	0.40

▸	CYP19A1	P11511	2/20	0.39

▸	CYP11B1	P15538	2/20	0.38

▸	CYP11B2	P19099	2/20	0.38

▸	APP	P05067	1/20	0.38

▸	PDE9A	O76083	1/20	0.38

▸	PDE1C	Q14123	1/20	0.38

▸	GRM2	Q14416	1/20	0.37

▸	CCNC	P24863	1/20	0.37

▸	CDK8	P49336	1/20	0.37

▸	P2RX3	P56373	1/20	0.37

▸	KLKB1	P03952	1/20	0.37

▸	KLK1	P06870	1/20	0.37

▸	SAE1	Q9UBE0	1/20	0.37

▸	UBA2	Q9UBT2	1/20	0.37

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
SCHEMBL6468889	0.91	AR (0.86)	ARCYP19A1CYP11B1CYP11B2PDE9A
SCHEMBL24414502	0.87	AR (0.80)	ARCYP19A1CYP11B1CYP11B2PDE9A
SCHEMBL24411064	0.84	AR (0.76)	ARCYP19A1CYP11B1CYP11B2PDE9A
SCHEMBL21996432	0.84	AR (0.76)	ARLOXL2CYP19A1CYP11B1CYP11B2
SCHEMBL24411088	0.84	AR (0.76)	ARCYP19A1CYP11B1CYP11B2PDE9A
SCHEMBL20051520	0.82	AR (0.72)	ARCYP19A1
SCHEMBL6465872	0.82	AR (0.76)	ARCYP19A1CYP11B1CYP11B2PDE9A
SCHEMBL6468062	0.80	AR (1.00)	ARPDE9APDE1C
SCHEMBL6464451	0.80	AR (0.80)	ARCYP19A1CYP11B1CYP11B2CCNC
SCHEMBL6889022	0.79	AR (0.68)	ARLOXL2CYP19A1CYP11B1CYP11B2

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-2018066545-A1	HETEROCYCLIC COMPOUND	公益財団法人ヒューマンサイエンス振興財団	2018-04-12	—	—	WO	disclosed