Pyrophosphoric Acid

Pyrophosphoric Acid

SCHEMBL8931250

O=P(O)(O)OP(=O)(O)O.O=[N+]([O-])O.[KH]

nearest known ligand 0.59

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Known targets — ChEMBL curated mechanism

ERG11

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

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.59
BLM P54132 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CA5A P35218 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
SLC34A1 Q06495 1/20 0.30

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
Pyrophosphoric Acid SCHEMBL8931252 0.85 FDPS (0.62) FDPSBLMTDP1CA5ACA5B
Pyrophosphoric Acid SCHEMBL396637 0.80 FDPS (0.91) FDPSBLMTDP1CA2SLC34A1
Pyrophosphoric Acid SCHEMBL134995 0.80 FDPS (0.91) FDPSBLMTDP1CA2SLC34A1
Pyrophosphoric Acid SCHEMBL1859412 0.80 FDPS (0.91) FDPSBLMTDP1CA2SLC34A1
Pyrophosphoric Acid SCHEMBL14956573 0.80 FDPS (0.91) FDPSBLMTDP1CA2SLC34A1
Pyrophosphoric Acid SCHEMBL9491121 0.80 FDPS (0.91) FDPSBLMTDP1CA2SLC34A1
Pyrophosphoric Acid SCHEMBL8817259 0.80 FDPS (0.91) FDPSBLMTDP1CA2SLC34A1
Pyrophosphoric Acid SCHEMBL565350 0.80 FDPS (0.91) FDPSBLMTDP1CA2SLC34A1
Pyrophosphoric Acid SCHEMBL57948 0.80 FDPS (0.91) FDPSBLMTDP1CA2SLC34A1
Phosphoric Acid SCHEMBL569853 0.78 CA5A (0.57) CA5ACA5BCA1CA2CES2

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
EP-0782438-A1 ORAL COMPOSITIONS UNILEVER N.V. (NL) 1997-07-09 EP disclosed
WO-1996009034-A1 ORAL COMPOSITIONS UNILEVER N.V. (NL) 1996-03-28 WO disclosed