Phosphoric Acid

Phosphoric Acid

SCHEMBL11067910

COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1.O=P(O)(O)O

nearest known ligand 0.91

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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
OPRM1 known ✓ P35372 2/20 0.51
ADRB2 known ✓ P07550 1/20 0.43
ADRB1 known ✓ P08588 1/20 0.43
KCNH2 known ✓ Q12809 1/20 0.43
MAOA P21397 15/20 0.91
MAOB P27338 15/20 0.91
KDM4E B2RXH2 2/20 0.51
THRB P10828 1/20 0.51
CASP1 P29466 1/20 0.51
RAD52 P43351 1/20 0.51
CASP7 P55210 1/20 0.51
CASP6 P55212 1/20 0.51
CASP8 Q14790 1/20 0.51
NSD2 O96028 1/20 0.51
MAPT P10636 1/20 0.51
ESR1 P03372 2/20 0.51
PGR P06401 2/20 0.51
HTR1A P08908 2/20 0.51
PTGS1 P23219 2/20 0.51
SLC6A2 P23975 2/20 0.51

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
SCHEMBL3856309 0.95 MAOA (1.00) MAOAMAOBKDM4ECASP1NSD2
SCHEMBL14443958 0.95 MAOA (1.00) MAOAMAOBKDM4ECASP1NSD2
SCHEMBL14443960 0.95 MAOA (1.00) MAOAMAOBKDM4ECASP1NSD2
Succinic Acid SCHEMBL29768843 0.92 MAOA (0.88) MAOAMAOBKDM4ETHRBCASP1
Succinic Acid SCHEMBL5497182 0.92 MAOA (0.88) MAOAMAOBKDM4ETHRBCASP1
Phosphoric Acid SCHEMBL11068520 0.91 MAOA (0.79) MAOAMAOBKDM4ETHRBCASP1
Phosphoric Acid SCHEMBL11071666 0.89 MAOA (0.90) MAOAMAOBKDM4ETHRBCASP1
Phosphoric Acid SCHEMBL11546314 0.87 MAOA (0.70) MAOAMAOBKDM4ETHRBCASP1
SCHEMBL14534511 0.87 MAOA (0.78) MAOAMAOBKDM4ECASP7CASP6
SCHEMBL11064360 0.86 MAOA (0.88) MAOAMAOBKDM4ECASP1NSD2

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
US-4431807-A PARASITICIDES; MALARIA; TISSUE AND BLOOD DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-02-14 US disclosed