Toluene — predicted protein targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PARP1	P09874	1/20	0.60

▸	ENPP3	O14638	2/20	0.57

▸	SLC22A12	Q96S37	11/20	0.56

▸	ENPP1	P22413	2/20	0.54

▸	SLC22A6	Q4U2R8	1/20	0.49

▸	ABCG2	Q9UNQ0	1/20	0.49

▸	L3MBTL1	Q9Y468	1/20	0.49

▸	CYP2C19	P33261	1/20	0.46

▸	MTNR1A	P48039	1/20	0.44

▸	RAPGEF4	Q8WZA2	1/20	0.44

▸	TNKS	O95271	1/20	0.40

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
SCHEMBL1570694	0.91	PARP1 (0.72)	PARP1ENPP3SLC22A12ENPP1SLC22A6
SCHEMBL163330	0.79	PARP1 (0.70)	PARP1ENPP3SLC22A12ENPP1SLC22A6
SCHEMBL27923545	0.78	SLC22A12 (0.78)	PARP1ENPP3SLC22A12ENPP1SLC22A6
SCHEMBL5469274	0.76	PARP1 (1.00)	PARP1ENPP3SLC22A12ENPP1SLC22A6
SCHEMBL30125176	0.72	PARP1 (0.55)	PARP1ENPP3SLC22A12ENPP1SLC22A6
SCHEMBL29831328	0.72	PARP1 (0.59)	PARP1ENPP3SLC22A12ENPP1SLC22A6
SCHEMBL8877952	0.72	PARP1 (0.59)	PARP1ENPP3SLC22A12ENPP1SLC22A6
SCHEMBL28857679	0.71	SLC22A12 (1.00)	PARP1ENPP3SLC22A12ENPP1SLC22A6
SCHEMBL4824190	0.71	SLC22A12 (0.64)	PARP1ENPP3SLC22A12ENPP1SLC22A6
SCHEMBL23926460	0.70	SLC22A12 (0.43)	PARP1ENPP3SLC22A12ENPP1SLC22A6

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
CN-106220623-A	Compounds and methods for and indication thereof for kinases regulation	普莱希科公司	2016-12-14	—	—	CN	disclosed