Phosphoric Acid

Phosphoric Acid

SCHEMBL1971262

NC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)O

nearest known ligand 0.72

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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 11)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.72
▸ TGM2 P21980 1/20 0.66
▸ HINT1 P49773 4/20 0.64
▸ KRAS P01116 6/20 0.60
▸ GSK3A P49840 2/20 0.60
▸ RPS6KA3 P51812 2/20 0.60
▸ MAPK14 Q16539 2/20 0.60
▸ FUT5 Q11128 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ IMPDH2 P12268 4/20 0.58
▸ IMPDH1 P20839 1/20 0.58

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
SCHEMBL16114085 0.96 HINT1 (0.68) NT5ETGM2HINT1KRASGSK3A
SCHEMBL13833305 0.96 HINT1 (0.68) NT5ETGM2HINT1KRASGSK3A
SCHEMBL8064372 0.96 HINT1 (0.68) NT5ETGM2HINT1KRASGSK3A
SCHEMBL16113852 0.96 HINT1 (0.68) NT5ETGM2HINT1KRASGSK3A
SCHEMBL16114035 0.96 HINT1 (0.68) NT5ETGM2HINT1KRASGSK3A
SCHEMBL8064383 0.96 HINT1 (0.68) NT5ETGM2HINT1KRASGSK3A
Guanosine SCHEMBL44407 0.92 NT5E (0.72) NT5ETGM2HINT1KRASGSK3A
Guanosine SCHEMBL94793 0.92 NT5E (0.72) NT5ETGM2HINT1KRASGSK3A
Guanosine SCHEMBL2589323 0.92 NT5E (0.72) NT5ETGM2HINT1KRASGSK3A
Guanosine SCHEMBL31361372 0.92 NT5E (0.72) NT5ETGM2HINT1KRASGSK3A

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
EP-1740719-B1 METHOD FOR DE NOVO DETECTION OF SEQUENCES IN NUCLEIC ACIDS:TARGET SEQUENCING BY FRAGMENTATION UNIV BOSTON (US) 2011-06-22 — — EP disclosed
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