Phosphoric Acid

Phosphoric Acid

SCHEMBL10428342

CN(CCO)Cc1cc(C(=O)c2cccs2)cc(C(C)(C)C)c1O.O=P(O)(O)O

nearest known ligand 0.60

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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
ALOX5 P09917 3/20 0.60
PTGS1 P23219 3/20 0.60
PTGS2 P35354 3/20 0.60
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 6/20 0.37
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
CNR1 P21554 2/20 0.36
HPGDS O60760 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 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
SCHEMBL10428419 0.96 ALOX5 (0.65) ALOX5PTGS1PTGS2HPGDKDM4E
Hydrochloric Acid SCHEMBL10428671 0.95 ALOX5 (0.64) ALOX5PTGS1PTGS2HPGDKDM4E
Hydrochloric Acid SCHEMBL10428375 0.89 ALOX5 (0.61) ALOX5PTGS1PTGS2HPGDKDM4E
SCHEMBL10428395 0.87 PTGS2 (0.54) ALOX5PTGS1PTGS2HPGDKDM4E
SCHEMBL10428504 0.86 ALOX5 (0.67) ALOX5PTGS1PTGS2HPGDKDM4E
Hydrochloric Acid SCHEMBL10428516 0.84 ALOX5 (0.67) ALOX5PTGS1PTGS2HPGDHTT
SCHEMBL10428348 0.84 ALOX5 (0.73) ALOX5PTGS1PTGS2HPGDALDH1A1
SCHEMBL10428318 0.83 ALOX5 (0.65) ALOX5PTGS1PTGS2CNR2CNR1
SCHEMBL10428624 0.83 PTGS1 (0.59) ALOX5PTGS1PTGS2HPGDCNR2
Hydrochloric Acid SCHEMBL10428682 0.83 ALOX5 (0.61) ALOX5PTGS1PTGS2HPGDKDM4E

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
US-4927835-A ANTIPYRETICS NIPPON SHINYAKU CO., LTD. (JP) 1990-05-22 US disclosed
EP-0331195-A2 Acylphenol derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1989-09-06 EP disclosed