SCHEMBL10344783

SCHEMBL10344783

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ INPP5A Q14642 2/20 1.00
▸ ITPR3 Q14573 9/20 0.78
▸ ITPR1 Q14643 5/20 0.78
▸ ITPR2 Q14571 4/20 0.78
▸ INPPL1 O15357 1/20 0.71
▸ AKT1 P31749 1/20 0.71
▸ 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
Ins(1,4,5)P3 SCHEMBL381458 0.89 ITPR3 (1.00) INPP5AITPR3ITPR1ITPR2INPPL1
Ins(1,4,5)P3 SCHEMBL10490812 0.89 ITPR3 (1.00) INPP5AITPR3ITPR1ITPR2INPPL1
Ins(1,4,5)P3 SCHEMBL4871682 0.89 ITPR3 (1.00) INPP5AITPR3ITPR1ITPR2INPPL1
Ins(1,4,5)P3 SCHEMBL4874594 0.89 ITPR3 (1.00) INPP5AITPR3ITPR1ITPR2INPPL1
Ins(1,4,5)P3 SCHEMBL4321735 0.89 ITPR3 (1.00) INPP5AITPR3ITPR1ITPR2INPPL1
Ins(1,4,5)P3 SCHEMBL98182 0.89 ITPR3 (1.00) INPP5AITPR3ITPR1ITPR2INPPL1
Ins(1,4,5)P3 SCHEMBL382820 0.89 ITPR3 (1.00) INPP5AITPR3ITPR1ITPR2INPPL1
Ins(1,4,5)P3 SCHEMBL9382320 0.89 ITPR3 (1.00) INPP5AITPR3ITPR1ITPR2INPPL1
SCHEMBL4456065 0.89 INPP5A (0.78) INPP5AITPR3ITPR1ITPR2INPPL1
SCHEMBL8460802 0.89 INPP5A (0.78) INPP5AITPR3ITPR1ITPR2INPPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354904-A1 INOSITOL PHOSPHATE ANALOGUES 3i RESEARCH EXPLOITATION LIMITED (GB) 1990-02-21 — — EP disclosed
WO-1988007047-A1 INOSITOL PHOSPHATE ANALOGUES RESEARCH CORPORATION LIMITED (GB) 1988-09-22 — — WO disclosed
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