Ins(1,4,5)P3

Ins(1,4,5)P3

SCHEMBL381458

O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](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 SCHEMBL4871682 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 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408481-A2 MAGNETIC RESONANCE IMAGING CONTRAST AGENT WITH PARAMAGNETIC-INOSITOL PHOSPHATES COMPLEXES Gachon University Of Medicine&Science Industry- Academic Cooperation Foundation (KR) 2012-01-25 EP claimed
WO-2010107178-A2 MAGNETIC RESONANCE IMAGING CONTRAST AGENT WITH PARAMAGNETIC-INOSITOL PHOSPHATES COMPLEXES GACHON UNIVERSITY OF MEDICINE & SCIENCE INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2010-09-23 WO claimed
US-20100233093-A1 Magnetic resonance imaging contrast agent with paramagnetic-inositol phosphates complexes GACHON UNIVERSITY OF MEDICINE & SCIENCE INDUSTRY-ACADEMIC CORPERATION FOUNDATION (KR) 2010-09-16 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
EP-0262227-A1 Process for the preparation of myoinositol derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-04-06 EP claimed
CN-109563056-B Triazoles for modulating intracellular calcium homeostasis 巴斯克大学 2022-08-16 CN disclosed
EP-3004394-A1 ASSAYS, METHODS AND KITS FOR ANALYZING SENSITIVITY AND RESISTANCE TO ANTI-CANCER DRUGS, PREDICTING A CANCER PATIENT'S PROGNOSIS, AND PERSONALIZED TREATMENT STRATEGIES University Of Miami (US) 2016-04-13 EP disclosed
WO-2014197543-A1 ASSAYS, METHODS AND KITS FOR ANALYZING SENSITIVITY AND RESISTANCE TO ANTI-CANCER DRUGS, PREDICTING A CANCER PATIENT'S PROGNOSIS, AND PERSONALIZED TREATMENT STRATEGIES UNIVERSITY OF MIAMI (US) 2014-12-11 WO disclosed
EP-2408481-A2 MAGNETIC RESONANCE IMAGING CONTRAST AGENT WITH PARAMAGNETIC-INOSITOL PHOSPHATES COMPLEXES Gachon University Of Medicine&Science Industry- Academic Cooperation Foundation (KR) 2012-01-25 EP disclosed
US-7989602-B2 having biological activity similar to PIM (acyl glycerol phosphatidylinositol manno-oligosacccharide) activity; asthma, allergic rhinitis, dermatitis, psoriasis, inflammatory bowel disease including Crohn's disease and ulcerative colitis, rheumatoid arthritis, multiple sclerosis, diabetes, systemic lupus THE MALAGHAN INSTITUTE OF MEDICAL RESEARCH (NZ) 2011-08-02 US disclosed
WO-2010107178-A2 MAGNETIC RESONANCE IMAGING CONTRAST AGENT WITH PARAMAGNETIC-INOSITOL PHOSPHATES COMPLEXES GACHON UNIVERSITY OF MEDICINE & SCIENCE INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2010-09-23 WO disclosed
US-20100233093-A1 Magnetic resonance imaging contrast agent with paramagnetic-inositol phosphates complexes GACHON UNIVERSITY OF MEDICINE & SCIENCE INDUSTRY-ACADEMIC CORPERATION FOUNDATION (KR) 2010-09-16 US disclosed
US-4924023-A MEDICINE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-08 US disclosed
EP-0354904-A1 INOSITOL PHOSPHATE ANALOGUES 3i RESEARCH EXPLOITATION LIMITED (GB) 1990-02-21 EP disclosed
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 disclosed
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 disclosed
WO-1989000156-A1 PREPARATION OF ISOMERS OF MYO-INOSITOL DERIVATIVES 3I RESEARCH EXPLOITATION LIMITED (GB) 1989-01-12 WO disclosed
WO-1988007047-A1 INOSITOL PHOSPHATE ANALOGUES RESEARCH CORPORATION LIMITED (GB) 1988-09-22 WO disclosed
US-4755612-A Intermediate compounds resulting from method for forming a dihydrogen-phosphate inositol MERCK & CO., INC. (US) 1988-07-05 US disclosed
EP-0262227-A1 Process for the preparation of myoinositol derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-04-06 EP disclosed