SCHEMBL21258982 — predicted protein targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	2/20	0.33

▸	CYP3A4	P08684	2/20	0.33

▸	CYP2D6	P10635	2/20	0.33

▸	HPGD	P15428	2/20	0.33

▸	SMN1; SMN2	Q16637	2/20	0.33

▸	HSD17B10	Q99714	2/20	0.33

▸	TSHR	P16473	1/20	0.33

▸	PTGIR	P43119	1/20	0.32

▸	CYP2C9	P11712	1/20	0.30

▸	MEN1	O00255	1/20	0.30

▸	KMT2A	Q03164	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
SCHEMBL21258981	0.94	ALDH1A1 (0.34)	ALDH1A1CYP3A4CYP2D6HPGDSMN1; SMN2
SCHEMBL21258963	0.88	PTGIR (0.42)	ALDH1A1CYP3A4CYP2D6HPGDSMN1; SMN2
SCHEMBL21259000	0.88	CKS1B (0.36)	ALDH1A1CYP3A4CYP2D6HPGDSMN1; SMN2
SCHEMBL21258960	0.87	HTR1A (0.35)	ALDH1A1CYP3A4CYP2D6HPGDSMN1; SMN2
SCHEMBL21258967	0.87	CKS1B (0.34)	PTGIR
SCHEMBL21258710	0.87	ALDH1A1 (0.33)	ALDH1A1CYP3A4CYP2D6HPGDSMN1; SMN2
SCHEMBL21258997	0.83	ALDH1A1 (0.34)	ALDH1A1CYP3A4CYP2D6HPGDSMN1; SMN2
SCHEMBL21258717	0.83	HSD17B10 (0.37)	ALDH1A1CYP3A4CYP2D6HPGDSMN1; SMN2
SCHEMBL21258959	0.82	PTGIR (0.38)	ALDH1A1CYP3A4CYP2D6HPGDSMN1; SMN2
SCHEMBL21258966	0.81	PTGIR (0.40)	PTGIR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3750879-A1	PROSTACYCLIN RECEPTOR AGONIST	Medshine Discovery Inc. (CN)	2020-12-16	—	—	EP	disclosed
WO-2019154363-A1	PROSTACYCLIN RECEPTOR AGONIST	南京明德新药研发有限公司	2019-08-15	—	—	WO	disclosed