SCHEMBL21760787 — predicted protein targets

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	2/20	0.39

▸	MEN1	O00255	2/20	0.39

▸	KMT2A	Q03164	2/20	0.39

▸	KDM4E	B2RXH2	1/20	0.37

▸	TDP1	Q9NUW8	1/20	0.37

▸	GAA	P10253	2/20	0.36

▸	GHSR	Q92847	1/20	0.34

▸	POLB	P06746	2/20	0.34

▸	TSHR	P16473	1/20	0.34

▸	GLA	P06280	1/20	0.34

▸	SMN1; SMN2	Q16637	1/20	0.34

▸	NPC1	O15118	1/20	0.34

▸	HTT	P42858	1/20	0.34

▸	ACHE	P22303	1/20	0.34

▸	HTR4	Q13639	1/20	0.34

▸	MGAM	O43451	1/20	0.33

▸	SI	P14410	1/20	0.33

▸	MGAM2	Q2M2H8	1/20	0.33

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
SCHEMBL29134441	0.78	TDP1 (0.38)	ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL30015692	0.78	TDP1 (0.38)	ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL13040418	0.78	TDP1 (0.38)	ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL30015975	0.78	TDP1 (0.38)	ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL23585251	0.74	POLB (0.43)	ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL13520272	0.72	SMN1; SMN2 (0.38)	ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL24770303	0.72	HTR2C (0.36)	ALDH1A1KDM4EPOLBTSHR
SCHEMBL23585250	0.72	EGFR (0.36)	ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL931642	0.67	MEN1 (0.50)	ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL29419589	0.66	CA2 (0.56)	ALDH1A1KDM4ETDP1POLBTSHR

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-2020040104-A1	BICYCLIC HETEROAROMATIC RING DERIVATIVE	杏林製薬株式会社	2020-02-27	—	—	WO	disclosed