Phosphoric Acid

Phosphoric Acid

SCHEMBL8506891

CC[N+](CC)(CC)Cc1ccccc1.CC[N+](CC)(CC)Cc1ccccc1.CC[N+](CC)(CC)Cc1ccccc1.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
CYP1A2 P05177 1/20 0.50
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CHRNA7 P36544 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
DNM1 Q05193 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
TAS2R10 Q9NYW0 1/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 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 SCHEMBL7637618 0.98 CYP1A2 (0.49) CYP1A2KDM4EALDH1A1TDP1BCHE
Phosphoric Acid SCHEMBL8506894 0.92 CYP1A2 (0.44) CYP1A2KDM4EALDH1A1TDP1BCHE
Phosphoric Acid SCHEMBL17529946 0.92 CYP1A2 (0.44) CYP1A2KDM4EALDH1A1TDP1BCHE
Phosphoric Acid SCHEMBL28146726 0.91 CYP1A2 (0.43) CYP1A2KDM4EALDH1A1TDP1BCHE
Phosphoric Acid SCHEMBL8506893 0.88 CYP1A2 (0.46) CYP1A2KDM4EALDH1A1TDP1BCHE
SCHEMBL1221710 0.87 KDM4E (0.50) CYP1A2KDM4EALDH1A1TDP1BCHE
Benzene SCHEMBL29130108 0.87 KDM4E (0.54) CYP1A2KDM4EALDH1A1TDP1BCHE
Hydrogen Sulfide SCHEMBL5998579 0.87 KDM4E (0.54) CYP1A2KDM4EALDH1A1TDP1BCHE
SCHEMBL81238 0.87 KDM4E (0.54) CYP1A2KDM4EALDH1A1TDP1BCHE
Diethyl Hydrogen Phosphate SCHEMBL4623337 0.86 KCNH2 (0.44) CYP1A2KDM4EALDH1A1TDP1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5868943-A Waste treatment process for the disposal of dichlorodifluoromethane by conversion into polytetrafluoroethylene DONNELLY JR JOSEPH L (US) 1999-02-09 US disclosed
US-4552942-A Silanes and compositions prepared therefrom CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1985-11-12 US disclosed
US-4511728-A Silanes and compositions prepared therefrom CONSORTIUM FUR ELEKTROCHEMISCHE (DE) 1985-04-16 US disclosed
EP-0089618-A1 Silanes and compositions prepared by making use of the silanes Consortium für elektrochemische Industrie GmbH (DE) 1983-09-28 EP disclosed