Atrinositol

Atrinositol

SCHEMBL355653

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

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 8/20 1.00
ITPR2 Q14571 4/20 0.94
ITPR1 Q14643 4/20 0.94
INPP5A Q14642 2/20 0.80
INPPL1 O15357 1/20 0.80
AKT1 P31749 1/20 0.80
SMPD1 P17405 1/20 0.70

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
Atrinositol SCHEMBL134177 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
Atrinositol SCHEMBL9022890 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
Atrinositol SCHEMBL636077 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
Atrinositol SCHEMBL9489238 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
Atrinositol SCHEMBL888326 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
Atrinositol SCHEMBL30474862 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
Atrinositol SCHEMBL29370539 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
Atrinositol SCHEMBL180074 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
Atrinositol SCHEMBL26683544 0.97 ITPR3 (0.95) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL405897 0.97 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 430 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166572-B1 ANTI-CALCULUS ORAL COMPOSITIONS PROCTER & GAMBLE (US) 2019-05-01 EP claimed
EP-3166572-A1 ANTI-CALCULUS ORAL COMPOSITIONS The Procter and Gamble Company (US) 2017-05-17 EP claimed
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT SIRÈN MATTI (FI) 2016-03-17 US claimed
WO-2016004597-A1 ANTI-CALCULUS ORAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-01-14 WO claimed
US-20160008238-A1 Anti-Calculus Oral Compositions THE PROCTER & GAMBLE COMPANY 2016-01-14 US claimed
EP-1998743-B1 Oral care compositions providing enhanced whitening and stain prevention PROCTER & GAMBLE (US) 2013-06-26 EP claimed
US-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 US claimed
EP-2187892-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA Bioneris AB (SE) 2010-05-26 EP claimed
WO-2009038533-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA BIONERIS AB (SE) 2009-03-26 WO claimed
EP-1998743-A1 ORAL CARE COMPOSITIONS PROVIDING ENHANCED WHITENING AND STAIN PREVENTION The Procter and Gamble Company (US) 2008-12-10 EP claimed
US-5846957-A Use of an ester of inositoltrisphosphate for the preparing of medicaments PERSTORP AB (SE) 1998-12-08 US claimed
WO-1997023229-A1 THE USE OF AN ESTER OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1997-07-03 WO claimed
EP-0730461-A1 THE USE OF AN ESTER OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF AN ANALGETIC MEDICAMENT PERSTORP AB (SE) 1996-09-11 EP claimed
EP-0730460-A1 THE USE OF AN ESTER OF INOSITOLTRISPHOSPHATE FOR THE TREATMENT OF INFLAMMATORY CONDITIONS PERSTORP AB (SE) 1996-09-11 EP claimed
WO-1995014477-A1 THE USE OF AN ESTER OF INOSITOLTRISPHOSPHATE FOR THE TREATMENT OF INFLAMMATORY CONDITIONS PERSTORP AB (SE) 1995-06-01 WO claimed
WO-1995014476-A1 THE USE OF AN ESTER OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF AN ANALGETIC MEDICAMENT PERSTORP AB (SE) 1995-06-01 WO claimed
US-5330979-A Administering to treat nervous system and cardiovascular disorders PERSTORP AB (SE) 1994-07-19 US claimed
US-5128332-A Method of treating cardiovascular diseases using inositoltrisphosphate PERSTORP AB (SE) 1992-07-07 US claimed
US-5057507-A Method of alleviating bone damage with inositoltriphosphate PERSTORP AB (SE) 1991-10-15 US claimed
US-4873355-A Process for regioselectively preparing phosphorylated inositols and other cyclitols E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-10 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100261682-A1 Method and Means for the Treatment of Cachexia PYGM, GYS1, CPT1B ITPR3 3281/4885ITPR2 3937/4885ITPR1 3918/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB ITPR3 4534/4885ITPR2 4560/4885ITPR1 4377/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.