SCHEMBL6664274

SCHEMBL6664274

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

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 9/20 0.74
ITPR1 Q14643 5/20 0.74
ITPR2 Q14571 4/20 0.74
INPP5A Q14642 2/20 0.64
INPPL1 O15357 1/20 0.58
AKT1 P31749 1/20 0.58
SMPD1 P17405 1/20 0.56

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
SCHEMBL5056860 0.96 ITPR3 (0.68) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL4343591 0.96 ITPR3 (0.74) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL4343592 0.96 ITPR3 (0.74) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL19712146 0.96 ITPR3 (0.65) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL5176539 0.96 ITPR3 (0.65) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL220555 0.93 ITPR3 (0.67) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL237183 0.93 ITPR3 (0.67) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL219762 0.93 ITPR3 (0.67) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL3498124 0.92 ITPR3 (0.63) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL7171543 0.91 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
WO-2016102352-A1 TXA2 INHIBITOR AS STIMULATOR OR INDUCER OF MHC CLASS I CROSS-PRESENTATION INSTITUT PASTEUR (FR) 2016-06-30 WO disclosed
EP-3037106-A1 TXA2 inhibitor as stimulator or inducer of MHC Class I cross-presentation INSTITUT PASTEUR (FR) 2016-06-29 EP disclosed
WO-2004009833-A2 TEST SYSTEMS FOR DETECTING INHIBITORS OF INOSITOL PHOSPHATE KINASES AND USE OF THESE INHIBITORS FOR THE PROPHYLAXIS OR THERAPY OF PROLIFERATIVE DISEASES MEDLNNOVA GESELLSCHAFT FÜR MEDIZINISCHE INNOVATIONEN AUS AKADEMISCHER FORSCHUNG MBH (DE) 2004-01-29 WO disclosed