Inositol

Inositol

SCHEMBL5709159

NC(=O)CCC(N)C(=O)O.O=C(O)C1CCCN1.O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

The experimentally established mechanism targets of Inositol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.51
KMT2A Q03164 2/20 0.51
ALOX15 P16050 1/20 0.51
PMP22 Q01453 1/20 0.51
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GSR P00390 1/20 0.38
CYP1A2 P05177 1/20 0.38
GRIK1 P39086 1/20 0.38
GRM5 P41594 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
GRIA4 P48058 1/20 0.38
GRIN1 Q05586 1/20 0.38

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
Glutamine SCHEMBL7707543 0.96 BLM (0.56) BLMKMT2AALOX15PMP22GRM8
Glutamine SCHEMBL5789307 0.96 BLM (0.56) BLMKMT2AALOX15PMP22GRM8
Glutamine SCHEMBL727085 0.96 BLM (0.56) BLMKMT2AALOX15PMP22GRM8
Glutamine SCHEMBL28174334 0.96 BLM (0.56) BLMKMT2AALOX15PMP22GRM8
Glutamine SCHEMBL1275425 0.96 BLM (0.56) BLMKMT2AALOX15PMP22GRM8
Glutamine SCHEMBL4412209 0.91 ALOX15 (0.50) BLMKMT2AALOX15PMP22GRM8
Glutamine SCHEMBL5800546 0.91 ALOX15 (0.50) BLMKMT2AALOX15PMP22GRM8
Glutamine SCHEMBL17545226 0.91 ALOX15 (0.50) BLMKMT2AALOX15PMP22GRM8
Glutamine SCHEMBL22654330 0.91 ALOX15 (0.50) BLMKMT2AALOX15PMP22GRM8
Glutamine SCHEMBL22654329 0.91 ALOX15 (0.50) BLMKMT2AALOX15PMP22GRM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716238-B1 METHOD FOR MODIFYING GENE EXPRESSION OF A PHYTOPATHOGENIC FUNGUS BAYER SAS (FR) 2017-12-06 EP disclosed
EP-1716238-A1 METHOD FOR MODIFYING GENE EXPRESSION OF A PHYTOPATHOGENIC FUNGUS Bayer CropScience S.A. (FR) 2006-11-02 EP disclosed
WO-2005071091-A1 METHOD FOR MODIFYING GENE EXPRESSION OF A PHYTOPATHOGENIC FUNGUS BAYER CROPSCIENCE SA (FR) 2005-08-04 WO disclosed