Phosphoric Acid

Phosphoric Acid

SCHEMBL5806089

Cc1c(C)n(CC2CC2)c2c(OCc3ccc(F)cc3)nccc12.O=P(O)(O)O

nearest known ligand 0.52

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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
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CNR2 P34972 10/20 0.44
CNR1 P21554 9/20 0.44
ABHD6 Q9BV23 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
ABHD12 Q8N2K0 1/20 0.36
GRIA2 P42262 2/20 0.34
GRIN2A Q12879 2/20 0.34
HTR6 P50406 2/20 0.33
GRM4 Q14833 1/20 0.33
MCHR1 Q99705 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL5807187 0.94 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5809844 0.93 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Sulfuric Acid SCHEMBL5807671 0.92 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5808708 0.91 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Nitric Acid SCHEMBL5808702 0.90 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5807747 0.90 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Phosphoric Acid SCHEMBL5808534 0.85 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Phosphoric Acid SCHEMBL5806660 0.85 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Phosphoric Acid SCHEMBL5809838 0.84 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Phosphoric Acid SCHEMBL5806061 0.83 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed