SCHEMBL30064355 — predicted protein targets

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	PARP1	P09874	10/20	0.55

▸	SCD	O00767	2/20	0.50

▸	PARP6	Q2NL67	2/20	0.43

▸	PARP2	Q9UGN5	2/20	0.43

▸	PARP3	Q9Y6F1	2/20	0.43

▸	HRH3	Q9Y5N1	2/20	0.41

▸	HDAC3	O15379	1/20	0.41

▸	HDAC2	Q92769	1/20	0.41

▸	SMO	Q99835	1/20	0.40

▸	TIPARP	Q7Z3E1	1/20	0.39

▸	TGM2	P21980	1/20	0.39

▸	SLC2A1	P11166	1/20	0.39

▸	CYP1A2	P05177	1/20	0.39

▸	CYP2C18	P33260	1/20	0.39

▸	CYP2C19	P33261	1/20	0.39

▸	KCNH2	Q12809	1/20	0.39

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
SCHEMBL29085156	0.85	SMN1; SMN2 (0.57)	PARP1SCDHRH3CYP2C19
SCHEMBL30604699	0.85	SMN1; SMN2 (0.57)	PARP1SCDHRH3CYP2C19
SCHEMBL29085152	0.85	SMN1; SMN2 (0.57)	PARP1SCDHRH3CYP2C19
SCHEMBL29085158	0.85	PARP1 (0.56)	PARP1SCDPARP6PARP2PARP3
SCHEMBL30064604	0.85	PARP1 (0.56)	PARP1SCDPARP6PARP2PARP3
SCHEMBL30064353	0.85	PARP1 (0.56)	PARP1SCDPARP6PARP2PARP3
SCHEMBL30064609	0.85	PARP1 (0.56)	PARP1SCDPARP6PARP2PARP3
SCHEMBL29085190	0.85	PARP1 (0.56)	PARP1SCDPARP6PARP2PARP3
SCHEMBL29085216	0.85	PARP1 (0.56)	PARP1SCDPARP6PARP2PARP3
SCHEMBL30064367	0.83	SCD (0.54)	PARP1SCDHDAC3HDAC2

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-2022222964-A1	PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE	成都百裕制药股份有限公司	2022-10-27	—	—	WO	disclosed