SCHEMBL3498124

SCHEMBL3498124

O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1OP(=O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(OP(=O)(O)O)OP(=O)(OP(=O)(O)O)OP(=O)(O)O

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 8/20 0.63
ITPR1 Q14643 4/20 0.63
ITPR2 Q14571 3/20 0.63
INPP5A Q14642 2/20 0.55
INPPL1 O15357 1/20 0.50
AKT1 P31749 1/20 0.50
SMPD1 P17405 1/20 0.48

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL6664274 0.92 ITPR3 (0.74) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL5056860 0.89 ITPR3 (0.68) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL4343591 0.88 ITPR3 (0.74) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL4343592 0.88 ITPR3 (0.74) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL19712146 0.88 ITPR3 (0.65) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL5176539 0.88 ITPR3 (0.65) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL237183 0.86 ITPR3 (0.67) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL219762 0.86 ITPR3 (0.67) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL220555 0.86 ITPR3 (0.67) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL11233751 0.84 ITPR3 (0.60) ITPR3ITPR1ITPR2INPP5AINPPL1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100129806-A1 REGULATION OF CELL SURVIVAL BY HSP90 AND IP6K2 THE JOHNS HOPKINS UNIVERSITY (US) 2010-05-27 US disclosed
WO-2008073382-A9 HSP90 AND IP6K2 BINDING UNIV JOHNS HOPKINS (US) 2009-06-18 WO disclosed
WO-2008073382-A2 HSP90 AND IP6K2 BINDING THE JOHNS HOPKINS UNIVERSITY (US) 2008-06-19 WO disclosed