Phosphoric Acid

Phosphoric Acid

SCHEMBL3497655

Nc1nc2c(c(=O)[nH]1)NCN2CCOCP(=O)(O)O.O=P(O)(O)O.O=P(O)(O)O

nearest known ligand 0.98

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Known targets — ChEMBL curated mechanism

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

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

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 14/20 0.98
POLB P06746 2/20 0.40
PNP P00491 1/20 0.39
POLA1 P09884 1/20 0.39
POLG P54098 1/20 0.39
TYMP P19971 1/20 0.39

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
SCHEMBL64568 0.99 HPRT1 (1.00) HPRT1POLBPNPPOLA1POLG
SCHEMBL9054351 0.92 HPRT1 (0.87) HPRT1PNP
SCHEMBL9053851 0.91 HPRT1 (0.85) HPRT1PNP
SCHEMBL15531987 0.85 HPRT1 (0.74) HPRT1
SCHEMBL10430809 0.84 HPRT1 (0.74) HPRT1POLBPNP
SCHEMBL8899140 0.84 HPRT1 (0.74) HPRT1PNP
SCHEMBL9417162 0.83 HPRT1 (0.72) HPRT1POLBPNP
SCHEMBL9056240 0.82 HPRT1 (0.71) HPRT1
SCHEMBL6834255 0.81 HPRT1 (0.70) HPRT1PNP
SCHEMBL6834509 0.81 HPRT1 (0.70) HPRT1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143332-A1 COMBINATION THERAPY FOR PROLIFERATIVE DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
EP-2086644-A2 COMBINATION OF AN INHIBITOR OF DNA POLYMERASE-ALPHA AND AN INHIBITOR OF A CHECKPOINT KINASE FOR PROLIFERATIVE DISORDERS SCHERING CORPORATION (US) 2009-08-12 EP disclosed
WO-2008063558-A2 COMBINATION OF AN INHIBITOR OF DNA POLYMERASE-ALPHA AND AN INHIBITOR OF A CHECKPOINT KINASE FOR PROLIFERATIVE DISORDERS SCHERING CORPORATION (US) 2008-05-29 WO disclosed