SCHEMBL8775574

SCHEMBL8775574

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 8/20 1.00
ITPR2 Q14571 4/20 1.00
ITPR1 Q14643 4/20 1.00
INPP5A Q14642 2/20 0.84
INPPL1 O15357 1/20 0.75
AKT1 P31749 1/20 0.75
SMPD1 P17405 1/20 0.74

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
SCHEMBL9091859 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL9093199 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL9094714 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL2510044 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL8994052 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL9091912 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL405897 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL2044892 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL9387601 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL15067019 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794786-A1 THE USE OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1997-09-17 EP disclosed
EP-0724445-A1 THE USE OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1996-08-07 EP disclosed
WO-1996020715-A1 THE USE OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1996-07-11 WO disclosed
EP-0666748-A1 THE USE OF INOSITOLTRISPHOSPHATE FOR THE PREPARATION OF MEDICAMENTS PERSTORP AB (SE) 1995-08-16 EP disclosed
WO-1995010285-A1 THE USE OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1995-04-20 WO disclosed
WO-1994009790-A1 THE USE OF INOSITOLTRISPHOSPHATE FOR THE PREPARATION OF MEDICAMENTS PERSTORP AB (SE) 1994-05-11 WO disclosed
EP-0536269-A1 THE USE OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1993-04-14 EP disclosed
US-5128332-A Method of treating cardiovascular diseases using inositoltrisphosphate PERSTORP AB (SE) 1992-07-07 US disclosed