SCHEMBL6710152

O=P(O)(O)OP(=O)(O[C@]1(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OP(=O)(OP(=O)(O)O)OP(=O)(OP(=O)(O)O)OP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ITPR3	Q14573	3/20	0.33

▸	ITPR2	Q14571	1/20	0.33

▸	ITPR1	Q14643	1/20	0.33

▸	FDPS	P14324	1/20	0.32

▸	BLM	P54132	1/20	0.32

▸	TDP1	Q9NUW8	1/20	0.32

▸	SMPD1	P17405	1/20	0.30

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
SCHEMBL27475612	0.96	ITPR3 (0.35)	ITPR3ITPR2ITPR1FDPSBLM
SCHEMBL28036113	0.89	ITPR3 (0.32)	ITPR3ITPR2ITPR1FDPSBLM
SCHEMBL4232799	0.88	ITPR3 (0.31)	ITPR3ITPR2ITPR1
SCHEMBL2552260	0.88	ITPR3 (0.31)	ITPR3ITPR2ITPR1
SCHEMBL28441626	0.88	ITPR3 (0.30)	ITPR3
SCHEMBL267296	0.81	ITPR3 (0.39)	ITPR3ITPR2ITPR1FDPSBLM
SCHEMBL29022797	0.81	ITPR3 (0.34)	ITPR3ITPR2ITPR1
SCHEMBL2227829	0.80	ITPR3 (0.44)	ITPR3ITPR2ITPR1SMPD1
SCHEMBL113869	0.80	ITPR3 (0.44)	ITPR3ITPR2ITPR1SMPD1
SCHEMBL28098213	0.80	ITPR3 (0.44)	ITPR3ITPR2ITPR1SMPD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20040029130-A1	Drug screening systems and assays	CANCER RESEARCH TECHNOLOGY LIMITED (GB)	2004-02-12	—	—	US	disclosed
EP-1283903-A1	DRUG SCREENING SYSTEMS AND ASSAYS	Cancer Research Technology Limited (GB)	2003-02-19	—	—	EP	disclosed
WO-2001090404-A1	DRUG SCREENING SYSTEMS AND ASSAYS	CANCER RESEARCH TECHNOLOGY LIMITED (GB)	2001-11-29	—	—	WO	disclosed