Phosphoric Acid

Phosphoric Acid

SCHEMBL28089172

N=C(Nc1ccccc1)Nc1ccccc1.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
TP53 P04637 2/20 0.50
EPHX1 P07099 1/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 1/20 0.50
CDK9 P50750 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
HSD17B10 Q99714 3/20 0.46
NAPRT Q6XQN6 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
PTPN1 P18031 1/20 0.45
CYP3A4 P08684 1/20 0.44
TAS2R38 P59533 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
SIRT1 Q96EB6 1/20 0.44

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
Benzene SCHEMBL27899223 0.88 HSD17B10 (0.55) TP53EPHX1TSHREPHX2CDK9
SCHEMBL20163213 0.88 HSD17B10 (0.55) TP53EPHX1TSHREPHX2CDK9
SCHEMBL35172 0.88 HSD17B10 (0.55) TP53EPHX1TSHREPHX2CDK9
Hydrochloric Acid SCHEMBL5608654 0.85 TAS2R38 (0.52) TP53EPHX1TSHREPHX2CDK9
SCHEMBL31160596 0.85 TAS2R38 (0.52) TP53EPHX1TSHREPHX2CDK9
Bromide SCHEMBL473887 0.85 TAS2R38 (0.52) TP53EPHX1TSHREPHX2CDK9
Fluoride SCHEMBL20815438 0.85 TAS2R38 (0.52) TP53EPHX1TSHREPHX2CDK9
Hydrogen Sulfide SCHEMBL28324183 0.85 TAS2R38 (0.52) TP53EPHX1TSHREPHX2CDK9
Oxalic Acid SCHEMBL30876191 0.84 SMN1; SMN2 (0.58) TP53EPHX1TSHREPHX2CDK9
SCHEMBL28130601 0.84 TP53 (0.52) TP53EPHX1TSHREPHX2CDK9

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
CN-108531004-A A kind of ship Corrosion resisting paint without need of cleaning rust and preparation method thereof 惠生(南通)重工有限公司 2018-09-14 CN claimed
CN-104231863-B The solvent free corrosion prevention corrosion-inhibiting coating composition that can solidify in the seawater 水利部交通运输部国家能源局南京水利科学研究院 2016-09-14 CN claimed
CN-108531004-A A kind of ship Corrosion resisting paint without need of cleaning rust and preparation method thereof 惠生(南通)重工有限公司 2018-09-14 CN disclosed
CN-104231863-B The solvent free corrosion prevention corrosion-inhibiting coating composition that can solidify in the seawater 水利部交通运输部国家能源局南京水利科学研究院 2016-09-14 CN disclosed