Ins(1,4,5)P3

Ins(1,4,5)P3

SCHEMBL4871682

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

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 9/20 1.00
ITPR1 Q14643 5/20 1.00
ITPR2 Q14571 4/20 1.00
INPP5A Q14642 2/20 1.00
INPPL1 O15357 1/20 0.90
AKT1 P31749 1/20 0.90
SMPD1 P17405 1/20 0.89

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
Ins(1,4,5)P3 SCHEMBL9383914 1.00 ITPR3 (1.00) ITPR3ITPR1ITPR2INPP5AINPPL1
Ins(1,4,5)P3 SCHEMBL28087353 1.00 ITPR3 (1.00) ITPR3ITPR1ITPR2INPP5AINPPL1
Ins(1,4,5)P3 SCHEMBL9382320 1.00 ITPR3 (1.00) ITPR3ITPR1ITPR2INPP5AINPPL1
Ins(1,4,5)P3 SCHEMBL98182 1.00 ITPR3 (1.00) ITPR3ITPR1ITPR2INPP5AINPPL1
Ins(1,4,5)P3 SCHEMBL10490812 1.00 ITPR3 (1.00) ITPR3ITPR1ITPR2INPP5AINPPL1
Ins(1,4,5)P3 SCHEMBL4321735 1.00 ITPR3 (1.00) ITPR3ITPR1ITPR2INPP5AINPPL1
Ins(1,4,5)P3 SCHEMBL381458 1.00 ITPR3 (1.00) ITPR3ITPR1ITPR2INPP5AINPPL1
Ins(1,4,5)P3 SCHEMBL382820 1.00 ITPR3 (1.00) ITPR3ITPR1ITPR2INPP5AINPPL1
Ins(1,4,5)P3 SCHEMBL4874594 1.00 ITPR3 (1.00) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL19532798 0.94 ITPR3 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7453006-B2 Inositol derivatives for increasing chloride secretion and inhibiting inflammation INOLOGIC, INC. (US) 2008-11-18 US disclosed
EP-1345950-A4 INOSITOL DERIVATIVES FOR INCREASING CHLORIDE SECRETION AND INHIBITING INFLAMMATION INOLOGIC INC (US) 2005-04-27 EP disclosed
US-20040147487-A1 Inositol derivatives for increasing chloride secretion and inhibiting inflammation INOLOGIC, INC. 2004-07-29 US disclosed
EP-1345950-A2 INOSITOL DERIVATIVES FOR INCREASING CHLORIDE SECRETION AND INHIBITING INFLAMMATION Inologic, Inc. (US) 2003-09-24 EP disclosed
WO-2002041831-A2 INOSITOL DERIVATIVES FOR INCREASING CHLORIDE SECRETION AND INHIBITING INFLAMMATION INOLOGIC, INC. (US) 2002-05-30 WO disclosed

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

For each of this compound's patents that has machine-readable text (1 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-20040147487-A1 Inositol derivatives for increasing chloride secretion and inhibiting inflammation PPIP5K2, ITPR2, ITPR3 ITPR3 3/4885ITPR1 5/4885ITPR2 2/4885

“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.