Pyrophosphoric Acid

Pyrophosphoric Acid

SCHEMBL4346392

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nearest known ligand 0.91

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Known targets — ChEMBL curated mechanism

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

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 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.91
BLM P54132 1/20 0.91
TDP1 Q9NUW8 1/20 0.91
CA4 P22748 1/20 0.37
CA2 P00918 1/20 0.36
INPPL1 O15357 2/20 0.35
INPP5A Q14642 2/20 0.35
SMPD1 P17405 1/20 0.35
INPP5B P32019 1/20 0.35
BTN3A1 O00481 2/20 0.35
ITPR3 Q14573 3/20 0.33
SLC34A1 Q06495 1/20 0.33
ITPR2 Q14571 1/20 0.33
ITPR1 Q14643 1/20 0.33

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 SCHEMBL145674 1.00 FDPS (0.91) FDPSBLMTDP1CA4CA2
Pyrophosphoric Acid SCHEMBL2325329 1.00 FDPS (0.91) FDPSBLMTDP1CA4CA2
Pyrophosphoric Acid SCHEMBL17765467 1.00 FDPS (0.91) FDPSBLMTDP1CA4CA2
Pyrophosphoric Acid SCHEMBL1985595 1.00 FDPS (0.91) FDPSBLMTDP1CA4CA2
Pyrophosphoric Acid SCHEMBL9522730 1.00 FDPS (0.91) FDPSBLMTDP1CA4CA2
Pyrophosphoric Acid SCHEMBL28049291 1.00 FDPS (0.91) FDPSBLMTDP1CA4CA2
Pyrophosphoric Acid SCHEMBL933099 1.00 FDPS (0.91) FDPSBLMTDP1CA4CA2
Pyrophosphoric Acid SCHEMBL3788496 1.00 FDPS (0.91) FDPSBLMTDP1CA4CA2
Pyrophosphoric Acid SCHEMBL23410734 0.96 FDPS (0.83) FDPSBLMTDP1CA4CA2
Pyrophosphoric Acid SCHEMBL11522910 0.96 FDPS (0.83) FDPSBLMTDP1CA4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171394-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS UNIVERSITE DE STRASBOURG (FR) 2014-06-19 US disclosed
US-20130190524-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS UNIVERSITE DE STRASBOURG (FR) 2013-07-25 US disclosed
EP-2111226-A2 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS Normoxys, Inc. (US) 2009-10-28 EP disclosed
US-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases UNIVERSITE DE STRASBOURG (FR) 2008-08-21 US disclosed
WO-2008082658-A2 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS NORMOXYS, INC. (US) 2008-07-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases PPIP5K2, IP6K1, IP6K3 FDPS 249/4885BLM 4449/4885TDP1 3015/4885
US-20130190524-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS PPIP5K2, ITPA, IPMK FDPS 144/4885BLM 4349/4885TDP1 2196/4885
US-20140171394-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS PPIP5K2, ITPA, IPMK FDPS 144/4885BLM 4349/4885TDP1 2196/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.