Phosphoric Acid

Phosphoric Acid

SCHEMBL30456783

CC1=CC(=C(C#N)C#N)C=C(/C=C/c2ccc(N(C)C)cc2)O1.O=P(O)(O)O

nearest known ligand 0.39

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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 19)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
MAPT P10636 6/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B3 P37058 1/20 0.36
RELA Q04206 1/20 0.35
PTGS1 P23219 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
HBB P68871 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL28980723 0.94 KDM4E (0.43) APPKDM4EMAPTMEN1KMT2A
SCHEMBL36940 0.94 KDM4E (0.43) APPKDM4EMAPTMEN1KMT2A
SCHEMBL36939 0.94 KDM4E (0.43) APPKDM4EMAPTMEN1KMT2A
Iodide SCHEMBL29042227 0.93 KDM4E (0.42) APPKDM4EMAPTMEN1KMT2A
Cyclohexane SCHEMBL3157868 0.91 APP (0.40) APPKDM4EMAPTMEN1KMT2A
SCHEMBL18304982 0.90 APP (0.40) APPKDM4EHDAC4HDAC1MAPT
Methylene Chloride SCHEMBL3165109 0.90 APP (0.40) APPKDM4EMAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL1178152 0.87 APP (0.36) APPKDM4EHDAC4HDAC1MAPT
SCHEMBL509086 0.87 APP (0.38) APPKDM4EMAPTMEN1KMT2A
SCHEMBL37058 0.87 KDM4E (0.47) APPKDM4EMAPTMEN1KMT2A

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-4181908-A2 COMPOSITIONS COMPRISING GARDOS CHANNEL ANTAGONISTS AND THEIR USES Adimabio LLC (US) 2023-05-24 EP disclosed