SCHEMBL28514481 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	IDO1	P14902	2/20	0.45

▸	AKR1C3	P42330	12/20	0.45

▸	AKR1C2	P52895	12/20	0.45

▸	AAK1	Q2M2I8	4/20	0.42

▸	AKR1B10	O60218	1/20	0.41

▸	AKR1C4	P17516	1/20	0.41

▸	AKR1C1	Q04828	1/20	0.41

▸	SLC22A12	Q96S37	1/20	0.41

▸	PIK3CA	P42336	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
SCHEMBL28514483	1.00	IDO1 (0.45)	IDO1AKR1C3AKR1C2AAK1AKR1B10
SCHEMBL28516867	0.91	IDO1 (0.42)	IDO1AKR1C3AKR1C2AAK1SLC22A12
SCHEMBL28516866	0.91	IDO1 (0.42)	IDO1AKR1C3AKR1C2AAK1SLC22A12
SCHEMBL28513031	0.84	PIK3CA (0.39)	IDO1AKR1C3AKR1C2AAK1SLC22A12
SCHEMBL28513028	0.84	PIK3CA (0.39)	IDO1AKR1C3AKR1C2AAK1SLC22A12
SCHEMBL28513014	0.84	AKR1C3 (0.51)	IDO1AKR1C3AKR1C2AAK1AKR1C4
SCHEMBL28513016	0.84	AKR1C3 (0.51)	IDO1AKR1C3AKR1C2AAK1AKR1C4
SCHEMBL28521383	0.82	IDO1 (0.53)	IDO1AAK1
SCHEMBL28521384	0.82	IDO1 (0.53)	IDO1AAK1
SCHEMBL28521375	0.82	PLA2G2A (0.44)	IDO1AAK1PIK3CA

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-110218182-B	IDO inhibitors	南京亘泰医药技术有限公司	2021-01-26	—	—	CN	disclosed