SCHEMBL381972

SCHEMBL381972

O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)OC2C(O)C(O)C(O)C(O)C2O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 8/20 0.77
ITPR1 Q14643 4/20 0.73
ITPR2 Q14571 3/20 0.73
INPP5A Q14642 2/20 0.70
INPPL1 O15357 1/20 0.70
AKT1 P31749 1/20 0.70
SMPD1 P17405 1/20 0.68

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
SCHEMBL2724650 0.95 ITPR3 (0.81) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL5184816 0.95 ITPR3 (0.77) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL1569348 0.95 ITPR3 (0.86) ITPR3ITPR1ITPR2INPP5AINPPL1
Phytic Acid SCHEMBL4218160 0.93 ITPR3 (0.90) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL2508779 0.90 ITPR3 (0.89) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL16345949 0.90 ITPR3 (0.89) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL9093377 0.90 ITPR3 (0.89) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL17830614 0.90 ITPR3 (0.89) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL6754703 0.90 ITPR3 (0.89) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL9094343 0.90 ITPR3 (0.89) 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
CN-108623654-B Corn active peptide and preparation method and application thereof 中粮营养健康研究院有限公司 2022-03-04 CN disclosed
CN-211886183-U Inositol waste gas deodorization device 安徽谷天下食品有限公司 2020-11-10 CN 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
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