SCHEMBL21600907 — predicted protein targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	IDO1	P14902	2/20	0.43

▸	TNIK	Q9UKE5	2/20	0.40

▸	ADRA2A	P08913	1/20	0.39

▸	ADRA2B	P18089	1/20	0.39

▸	ADRA2C	P18825	1/20	0.39

▸	XDH	P47989	2/20	0.38

▸	SLC22A12	Q96S37	2/20	0.38

▸	TYR	P14679	1/20	0.37

▸	ESR1	P03372	6/20	0.37

▸	ESR2	Q92731	5/20	0.37

▸	APP	P05067	2/20	0.36

▸	HCAR3	P49019	1/20	0.35

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
SCHEMBL7742493	0.79	HTT (0.46)	—
SCHEMBL7855939	0.78	CRHR1 (0.38)	IDO1
SCHEMBL1488396	0.77	APP (0.53)	IDO1TNIKADRA2AADRA2BADRA2C
SCHEMBL741149	0.76	KDM4E (0.46)	—
SCHEMBL27308984	0.76	TRPV4 (0.38)	IDO1HCAR3
SCHEMBL13718688	0.76	GSK3B (0.40)	IDO1ADRA2BHCAR3
SCHEMBL18417808	0.76	LMNA (0.36)	IDO1HCAR3
SCHEMBL29114280	0.74	HCAR3 (0.59)	HCAR3
SCHEMBL31572042	0.74	HCAR3 (0.59)	HCAR3
SCHEMBL23015711	0.73	L3MBTL1 (0.45)	—

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-2019242689-A1	CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF	北京赛特明强医药科技有限公司	2019-12-26	—	—	WO	disclosed