Pyrophosphoric Acid

Pyrophosphoric Acid

SCHEMBL214829

O=P(O)(O)OP(=O)(O)O.c1ccn2cccc2c1.c1ccn2cccc2c1.c1ccn2cccc2c1

nearest known ligand 0.60

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.60
FDPS P14324 2/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SRC P12931 2/20 0.38
PDPK1 O15530 1/20 0.33
MTOR P42345 1/20 0.33
PTPN1 P18031 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PDE3A Q14432 1/20 0.32
HSD17B10 Q99714 1/20 0.32
INPPL1 O15357 1/20 0.31
INPP5B P32019 1/20 0.31
INPP5A Q14642 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 SCHEMBL28487138 0.87 ALOX15 (0.71) ALOX15FDPSSRCPTPN1CA2
SCHEMBL7913 0.78
Ammonia Solution, Strong SCHEMBL28553518 0.75 ALOX15 (0.94) ALOX15TDP1KDM4EALDH1A1HPGD
Acetic Acid SCHEMBL1424716 0.72 ALOX15 (0.68) ALOX15TDP1KDM4EALDH1A1HSD17B10
Pyrophosphoric Acid SCHEMBL214830 0.72 ESR1 (0.33) FDPSBLMTDP1SRCMAPT
Pyrophosphoric Acid SCHEMBL4104677 0.71 BLM (0.56) FDPSBLMTDP1SRCCA2
Naphthalene SCHEMBL19062553 0.71 FDPS (0.56) FDPSBLMTDP1SRCPTPN1
Naphthalene SCHEMBL10853041 0.71 FDPS (0.56) FDPSBLMTDP1SRCPTPN1
Perchlorate SCHEMBL30006851 0.70 ALOX15 (0.71) ALOX15KDM4EALDH1A1MAPTPTGS1
Pyrophosphoric Acid SCHEMBL31318897 0.69 CA2 (0.53) ALOX15FDPSBLMTDP1SRC

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-2401277-A1 SALT OF TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE AND CRYSTAL THEREOF Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed