Pyrophosphoric Acid

Pyrophosphoric Acid

SCHEMBL8586780

NCCCNP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O.O=P(O)(O)OP(=O)(O)O

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.71
P2RY1 P47900 5/20 0.65
ENPP1 P22413 4/20 0.65
DTYMK P23919 2/20 0.52
P2RY2 P41231 3/20 0.52
SRC P12931 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
DNPH1 O43598 1/20 0.52
PRKAB2 O43741 1/20 0.52
TRPM2 O94759 1/20 0.52
LDHA P00338 1/20 0.52
ADRB2 P07550 1/20 0.52
FBP1 P09467 1/20 0.52
ADORA1 P30542 1/20 0.52
PRKAG1 P54619 1/20 0.52
PRKAA2 P54646 1/20 0.52
PDE4D Q08499 1/20 0.52
KCNH2 Q12809 1/20 0.52
PRKAA1 Q13131 1/20 0.52
PDE3A Q14432 1/20 0.52

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
SCHEMBL8586784 0.94 POLB (0.67) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL15807652 0.89 POLB (0.71) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL14365017 0.88 POLB (0.70) POLBP2RY1ENPP1DTYMKP2RY2
Pyrophosphoric Acid SCHEMBL8510453 0.88 POLB (0.68) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL24137239 0.87 POLB (0.76) POLBP2RY1ENPP1DTYMKP2RY2
Pyrophosphoric Acid SCHEMBL8510288 0.87 POLB (0.68) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL11927746 0.87 POLB (0.68) POLBP2RY1ENPP1DTYMKP2RY2
Pyrophosphoric Acid SCHEMBL8509306 0.86 POLB (0.65) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL31211719 0.85 POLB (0.81) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL29352481 0.85 POLB (0.81) POLBP2RY1ENPP1DTYMKP2RY2

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-5965106-A ADMINISTERING TARGETING MOIETY COUPLED TO AFFINITY COMPONENT, WHEREIN TARGETING MOIETY HAS AFFINITY FOR BINDING SITES IN TARGET AREA, AND BINDING PARTNER TO AFFINITY COMPONENT COUPLED TO FUNCTIONAL MOIETY TO LOCALIZE FUNCTIONAL MOIETY IN TARGET PERIMMUNE HOLDINGS, INC. (US) 1999-10-12 US disclosed