Phosphoric Acid

Phosphoric Acid

SCHEMBL5330100

N#CC(=CC(=O)O)c1ccc(O)cc1.O=P(O)(O)O

nearest known ligand 0.50

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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 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
ESR2 Q92731 3/20 0.50
NQO2 P16083 1/20 0.46
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.40
CYP3A4 P08684 2/20 0.40
CISD1 Q9NZ45 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
GPR35 Q9HC97 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
TYR P14679 1/20 0.39
DRD1 P21728 1/20 0.39
CA4 P22748 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
SCHEMBL28554503 0.93 ESR1 (0.56) ESR1ESR2NQO2ALDH1A1MAPT
SCHEMBL28093622 0.93 ESR1 (0.56) ESR1ESR2NQO2ALDH1A1MAPT
SCHEMBL854364 0.93 ESR1 (0.56) ESR1ESR2NQO2ALDH1A1MAPT
SCHEMBL26827 0.93 ESR1 (0.56) ESR1ESR2NQO2ALDH1A1MAPT
Pyridine SCHEMBL1237058 0.83 ESR1 (0.46) ESR1ESR2NQO2ALDH1A1MAPT
Ether SCHEMBL27951660 0.81 NQO2 (0.45) ESR1ESR2NQO2ALDH1A1MAPT
Coumaric Acid SCHEMBL20261721 0.81 ESR1 (0.62) ESR1ESR2NQO2MAPTKMT2A
SCHEMBL22691970 0.80 TSHR (0.48) ESR1ESR2ALDH1A1KMT2ACA1
Gentisic Acid SCHEMBL28367375 0.79 PTGS2 (0.56) ESR1ESR2NQO2ALDH1A1KMT2A
SCHEMBL670068 0.78 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539730-A4 NOVEL COMPUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FASGEN INC (US) 2007-03-28 EP disclosed
WO-2007014247-A2 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME JOHNS HOPKINS UNIVERSITY (US) 2007-02-01 WO disclosed
EP-1534263-A4 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FASGEN LLC (US) 2006-10-11 EP disclosed
EP-1539730-A1 NOVEL COMPUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME Fasgen Inc. (US) 2005-06-15 EP disclosed
EP-1534263-A2 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME Fasgen, LLC (US) 2005-06-01 EP disclosed
WO-2004006835-A2 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FASGEN, LLC. (US) 2004-01-22 WO disclosed
WO-2004005277-A1 NOVEL COMPUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FASGEN, INC. (US) 2004-01-15 WO disclosed