SCHEMBL28131900 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	6/20	0.44

▸	HSD17B10	Q99714	2/20	0.44

▸	PDK1	Q15118	1/20	0.43

▸	L3MBTL1	Q9Y468	2/20	0.43

▸	TSHR	P16473	2/20	0.40

▸	NPC1	O15118	1/20	0.40

▸	ALOX12	P18054	1/20	0.40

▸	KMT2A	Q03164	3/20	0.40

▸	SMN1; SMN2	Q16637	2/20	0.40

▸	GAA	P10253	1/20	0.40

▸	MEN1	O00255	1/20	0.39

▸	LMNA	P02545	1/20	0.39

▸	KDM4E	B2RXH2	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
SCHEMBL29186133	1.00	ALDH1A1 (0.44)	ALDH1A1HSD17B10PDK1L3MBTL1TSHR
SCHEMBL16415404	0.83	PDK1 (0.49)	ALDH1A1PDK1L3MBTL1TSHRNPC1
SCHEMBL618279	0.83	PDK1 (0.49)	ALDH1A1PDK1L3MBTL1TSHRNPC1
SCHEMBL4402755	0.83	PDK1 (0.49)	ALDH1A1PDK1L3MBTL1TSHRNPC1
SCHEMBL12495895	0.81	PDK1 (0.42)	ALDH1A1PDK1L3MBTL1NPC1ALOX12
SCHEMBL30144175	0.78	PDK1 (0.40)	ALDH1A1PDK1L3MBTL1NPC1ALOX12
SCHEMBL21193471	0.77	KMT2A (0.40)	ALDH1A1HSD17B10PDK1L3MBTL1TSHR
SCHEMBL29239225	0.77	L3MBTL1 (0.43)	ALDH1A1HSD17B10PDK1L3MBTL1TSHR
SCHEMBL28956797	0.76	SLC12A2 (0.49)	ALDH1A1HSD17B10ALOX12KMT2AGAA
SCHEMBL17893277	0.76	PDK1 (0.44)	ALDH1A1PDK1L3MBTL1TSHRKDM4E

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-104703988-B	Novel triazolopyrazine derivative and use thereof	韩国化学研究院	2017-04-12	—	—	CN	disclosed