SCHEMBL4754501

SCHEMBL4754501

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

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITPR3 Q14573 8/20 0.90
▸ ITPR2 Q14571 4/20 0.90
▸ ITPR1 Q14643 4/20 0.90
▸ INPP5A Q14642 3/20 0.90
▸ SMPD1 P17405 1/20 0.89
▸ INPPL1 O15357 1/20 0.80
▸ AKT1 P31749 1/20 0.80

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
SCHEMBL29165997 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL9872231 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL1149378 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL15762968 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL12871334 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL5003539 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL12858863 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL452334 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL113868 0.97 ITPR3 (0.89) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL14396732 0.97 ITPR3 (0.89) ITPR3ITPR2ITPR1INPP5ASMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627922-A1 A PHARMACEUTICAL COMPOSITION WITH IMPROVED BIOAVAILABILITY OF INOSITOL PHOSPHATE PERSTORP AB (SE) 1994-12-14 — — EP claimed
WO-2008153906-A1 HAPTOGLOBIN GENOTYPING FOR PROGNOSIS AND TREATMENT OF CHRONIC VASOSPASM FOLLOWING SUBARACHNOID HEMORRHAGE (SAH) RAPPAPORT FAMILY INSTITUTE FOR RESEARCH IN THE MEDICAL SCIENCES (IL) 2008-12-18 — — WO disclosed
EP-0797443-A1 A PHARMACEUTICAL COMPOSITION WITH IMPROVED BIO-AVAILABILITY OF INOSITOL PHOSPHATE PERSTORP AB (SE) 1997-10-01 — — EP disclosed
EP-0730460-A1 THE USE OF AN ESTER OF INOSITOLTRISPHOSPHATE FOR THE TREATMENT OF INFLAMMATORY CONDITIONS PERSTORP AB (SE) 1996-09-11 — — EP disclosed
EP-0724445-A1 THE USE OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1996-08-07 — — EP disclosed
WO-1995019775-A1 A PHARMACEUTICAL COMPOSITION WITH IMPROVED BIO-AVAILABILITY OF INOSITOL PHOSPHATE PERSTORP AB (SE) 1995-07-27 — — WO disclosed
WO-1995014477-A1 THE USE OF AN ESTER OF INOSITOLTRISPHOSPHATE FOR THE TREATMENT OF INFLAMMATORY CONDITIONS PERSTORP AB (SE) 1995-06-01 — — WO disclosed
WO-1995010285-A1 THE USE OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1995-04-20 — — 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
WO-1992000079-A1 THE USE OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1992-01-09 — — WO disclosed
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