Phosphoric Acid

Phosphoric Acid

SCHEMBL13730837

CCC(N)Cc1cc(F)c(F)cc1F.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 5)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 20/20 0.50
DPP7 Q9UHL4 1/20 0.43
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
CYP3A4 P08684 2/20 0.40

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
Phosphoric Acid SCHEMBL14128618 0.98 DPP4 (0.49) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL3144411 0.89 DPP4 (0.60) DPP4DPP7
SCHEMBL14550112 0.89 DPP4 (0.60) DPP4DPP7
Hydrochloric Acid SCHEMBL13730062 0.88 DPP4 (0.58) DPP4DPP7
Trifluoroacetic Acid SCHEMBL13729613 0.83 DPP4 (0.49) DPP4DPP7DPP8DPP9CYP3A4
Adipic Acid SCHEMBL13729710 0.81 DPP4 (0.45) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL13729579 0.77 DPP4 (0.47) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL16750214 0.75 DPP4 (0.58) DPP4DPP7DPP8CYP3A4
SCHEMBL13780809 0.75 DPP4 (0.58) DPP4DPP7DPP8CYP3A4
Gentisic Acid SCHEMBL13732886 0.74 CA12 (0.49) DPP4DPP7DPP8DPP9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681220-A2 NOVEL SALTS OF DPP-IV INHIBITOR Cadila Healthcare Limited (IN) 2014-01-08 EP disclosed
WO-2012147092-A2 NOVEL SALTS OF DPP-IV INHIBITOR CADILA HEALTHCARE LIMITED (IN) 2012-11-01 WO disclosed