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Sugi Predict / Compounds / Ionositol (1,3,4,5,6) P5

Ionositol (1,3,4,5,6) P5

Ionositol (1,3,4,5,6) P5

SCHEMBL2710469

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

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITPR3 Q14573 8/20 0.94
▸ ITPR2 Q14571 4/20 0.94
▸ ITPR1 Q14643 4/20 0.94
▸ INPPL1 O15357 1/20 0.94
▸ AKT1 P31749 1/20 0.94
▸ INPP5A Q14642 2/20 0.84
▸ SMPD1 P17405 1/20 0.83

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
Ionositol (1,3,4,5,6) P5 SCHEMBL406795 1.00 ITPR3 (0.94) ITPR3ITPR2ITPR1INPPL1AKT1
Ionositol (1,3,4,5,6) P5 SCHEMBL30469421 1.00 ITPR3 (0.94) ITPR3ITPR2ITPR1INPPL1AKT1
Ionositol (1,3,4,5,6) P5 SCHEMBL29635038 1.00 ITPR3 (0.94) ITPR3ITPR2ITPR1INPPL1AKT1
Ionositol (1,3,4,5,6) P5 SCHEMBL406796 1.00 ITPR3 (0.94) ITPR3ITPR2ITPR1INPPL1AKT1
Ionositol (1,3,4,5,6) P5 SCHEMBL29635093 1.00 ITPR3 (0.94) ITPR3ITPR2ITPR1INPPL1AKT1
Ionositol (1,3,4,5,6) P5 SCHEMBL15209904 1.00 ITPR3 (0.94) ITPR3ITPR2ITPR1INPPL1AKT1
Ionositol (1,3,4,5,6) P5 SCHEMBL29635044 1.00 ITPR3 (0.94) ITPR3ITPR2ITPR1INPPL1AKT1
Ionositol (1,3,4,5,6) P5 SCHEMBL13951027 1.00 ITPR3 (0.94) ITPR3ITPR2ITPR1INPPL1AKT1
Ionositol (1,3,4,5,6) P5 SCHEMBL5159171 1.00 ITPR3 (0.94) ITPR3ITPR2ITPR1INPPL1AKT1
Ionositol (1,3,4,5,6) P5 SCHEMBL357421 1.00 ITPR3 (0.94) ITPR3ITPR2ITPR1INPPL1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445509-A1 ZINC SUPPLEMENTATION TO INCREASE RESPONSIVENESS TO METALLOPROTEASE THERAPY Soparkar, Charles N.S. (US) 2012-05-02 — — EP disclosed
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