Pyrophosphoric Acid

Pyrophosphoric Acid

SCHEMBL2411229

O=P(O)(O)OP(=O)(O)O.O=c1[nH]c(NCO)nc2nccnc12

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.33
POLB P06746 2/20 0.32
PNP P00491 1/20 0.32
POLG P54098 2/20 0.32
AKR1B1 P15121 2/20 0.32
XDH P47989 3/20 0.32
POLA1 P09884 1/20 0.31
HPRT1 P00492 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
Phosphoric Acid SCHEMBL28087780 0.92 KDM4E (0.37) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL18486650 0.84 PNP (0.39) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL18486711 0.83 KDM4E (0.38) KDM4EGAAALDH1A1SMN1; SMN2HPGD
Pterine SCHEMBL27777837 0.77 POLB (0.47) POLBPNPPOLGAKR1B1POLA1
Phosphoric Acid SCHEMBL29043332 0.75 GAA (0.39) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL27483301 0.75 KDM4E (0.38) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL3639474 0.75 KDM4C (0.48) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL28478046 0.73 KDM4E (0.43) KDM4EGAAALDH1A1SMN1; SMN2HPGD
Triphosphate SCHEMBL28078341 0.72 POLG (0.52) POLBPNPPOLGAKR1B1POLA1
SCHEMBL9444229 0.72 KDM4E (0.40) KDM4EGAAALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2538931-B1 PRODUCTS AND METHODS UNIV DURHAM (GB) 2016-08-03 EP disclosed
US-20130039856-A1 Products and Methods UNIVERSITY OF DURHAM (GB) 2013-02-14 US disclosed
EP-2538931-A1 PRODUCTS AND METHODS University Of Durham (GB) 2013-01-02 EP disclosed
WO-2011104515-A1 PRODUCTS AND METHODS UNIVERSITY OF DURHAM (GB) 2011-09-01 WO disclosed