SCHEMBL7715053

SCHEMBL7715053

O=P(O)(O)OP(=O)(O)OC1C(O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C1O

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 9/20 0.67
ITPR1 Q14643 5/20 0.67
ITPR2 Q14571 4/20 0.67
INPPL1 O15357 1/20 0.67
AKT1 P31749 1/20 0.67
INPP5A Q14642 2/20 0.60
SMPD1 P17405 1/20 0.58

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
SCHEMBL5417857 0.96 ITPR3 (0.61) ITPR3ITPR1ITPR2INPPL1AKT1
SCHEMBL29930713 0.93 ITPR3 (0.71) ITPR3ITPR1ITPR2INPPL1AKT1
SCHEMBL7035469 0.93 ITPR3 (0.71) ITPR3ITPR1ITPR2INPPL1AKT1
SCHEMBL19712150 0.93 ITPR3 (0.58) ITPR3ITPR1ITPR2INPPL1AKT1
SCHEMBL1929610 0.91 ITPR3 (0.61) ITPR3ITPR1ITPR2INPPL1AKT1
SCHEMBL1896614 0.91 ITPR3 (0.60) ITPR3ITPR1ITPR2INPPL1AKT1
SCHEMBL219762 0.91 ITPR3 (0.67) ITPR3ITPR1ITPR2INPPL1AKT1
SCHEMBL237183 0.91 ITPR3 (0.67) ITPR3ITPR1ITPR2INPPL1AKT1
SCHEMBL220555 0.91 ITPR3 (0.67) ITPR3ITPR1ITPR2INPPL1AKT1
SCHEMBL19712154 0.91 ITPR3 (0.58) ITPR3ITPR1ITPR2INPPL1AKT1

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
US-6377057-B1 Classification of biological agents according to the spectral density signature of evoked changes in cellular electric potential THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2002-04-23 US disclosed