SCHEMBL30713458

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ITPR3	Q14573	7/20	0.56

▸	ITPR2	Q14571	3/20	0.54

▸	ITPR1	Q14643	3/20	0.54

▸	INPPL1	O15357	1/20	0.54

▸	AKT1	P31749	1/20	0.54

▸	SMPD1	P17405	1/20	0.52

▸	INPP5A	Q14642	3/20	0.48

▸	FDPS	P14324	1/20	0.45

▸	BLM	P54132	1/20	0.45

▸	TDP1	Q9NUW8	1/20	0.45

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
SCHEMBL29869445	1.00	ITPR3 (0.56)	ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL6710149	1.00	ITPR3 (0.56)	ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL3498450	1.00	ITPR3 (0.56)	ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL29602097	1.00	ITPR3 (0.56)	ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL30629453	1.00	ITPR3 (0.56)	ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL6708568	1.00	ITPR3 (0.56)	ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL3500008	1.00	ITPR3 (0.56)	ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL613185	1.00	ITPR3 (0.56)	ITPR3ITPR2ITPR1INPPL1AKT1
Scyllitol SCHEMBL5997336	0.91	ITPR3 (0.64)	ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL4343592	0.91	ITPR3 (0.74)	ITPR3ITPR2ITPR1INPPL1AKT1

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-2024006972-A1	THERAPEUTIC TARGETING OF INOSITOL PYROPHOSPHATE SYNTHESIS IN CANCER	THE BROAD INSTITUTE, INC. (US)	2024-01-04	—	—	WO	disclosed