SCHEMBL19782392 — predicted protein targets

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	DHODH	Q02127	13/20	0.40

▸	MAPT	P10636	4/20	0.35

▸	KDM4E	B2RXH2	2/20	0.35

▸	CYP1A2	P05177	2/20	0.35

▸	CYP2C9	P11712	2/20	0.35

▸	CYP2C19	P33261	2/20	0.35

▸	ALDH1A1	P00352	2/20	0.35

▸	MEN1	O00255	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	NPC1	O15118	2/20	0.35

▸	HPGD	P15428	2/20	0.35

▸	RAB9A	P51151	2/20	0.35

▸	SMN1; SMN2	Q16637	1/20	0.34

▸	LMNA	P02545	1/20	0.34

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
SCHEMBL19782389	0.88	DHODH (0.38)	DHODHMAPTKDM4ECYP1A2CYP2C9
SCHEMBL19782395	0.85	CDC7 (0.40)	DHODHMAPTKDM4EALDH1A1
SCHEMBL19782394	0.84	DHODH (0.38)	DHODHMAPTKDM4ECYP1A2CYP2C9
SCHEMBL19783003	0.75	ADORA3 (0.41)	DHODHMAPTKDM4ECYP1A2CYP2C9
SCHEMBL19782384	0.73	ALDH1A1 (0.38)	DHODHMAPTKDM4ECYP1A2CYP2C9
SCHEMBL19782390	0.73	DHODH (0.36)	DHODHMAPTKDM4ECYP1A2CYP2C9
SCHEMBL15993345	0.70	DHODH (0.58)	DHODHMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL19782992	0.70	DHODH (0.56)	DHODHMAPTKDM4ECYP1A2CYP2C9
SCHEMBL15993076	0.69	NPC1 (0.48)	DHODHMAPTKDM4EALDH1A1KMT2A
SCHEMBL15993447	0.69	DHODH (0.54)	DHODHMAPTKDM4ECYP1A2CYP2C9

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-2018013508-A1	SUBSTITUTED AMINOTHIAZOLES	BARUCH S. BLUMBERG INSTITUTE (US)	2018-01-18	—	—	WO	disclosed