SCHEMBL2831133

SCHEMBL2831133

O=P(O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1Oc1c[nH]c2ccc(Br)c(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 7/20 0.40
ITPR2 Q14571 3/20 0.40
ITPR1 Q14643 3/20 0.40
INPP5A Q14642 2/20 0.36
INPPL1 O15357 1/20 0.33
AKT1 P31749 1/20 0.33
SMPD1 P17405 1/20 0.31

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
Phosphoric Acid SCHEMBL6887485 0.90
Inositol SCHEMBL2831131 0.83 HTR2A (0.38) INPP5AINPPL1AKT1
SCHEMBL23488 0.77 HTR2A (0.40) INPP5AINPPL1AKT1
SCHEMBL29356973 0.77 HTR2A (0.40) INPP5AINPPL1AKT1
SCHEMBL17668115 0.76 HTR2A (0.40) INPP5AINPPL1AKT1
Ammonia Solution, Strong SCHEMBL20492883 0.76 HTR2A (0.40) INPP5AINPPL1AKT1
SCHEMBL29008754 0.76 HTR2A (0.40) INPP5AINPPL1AKT1
Phosphoric Acid SCHEMBL8156858 0.76 HTR2A (0.40) INPP5AINPPL1AKT1
SCHEMBL5058499 0.76 HTR2A (0.40) INPP5AINPPL1AKT1
SCHEMBL31324009 0.76 HTR2A (0.40) INPP5AINPPL1AKT1

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
US-20100240091-A1 BIOCHEMICAL TEST FOR CONFIRMING THE PRESENCE OF L. MONOCYTOGENES BIOMERIEUX (FR) 2010-09-23 US claimed
US-20100240091-A1 BIOCHEMICAL TEST FOR CONFIRMING THE PRESENCE OF L. MONOCYTOGENES BIOMERIEUX (FR) 2010-09-23 US disclosed