Phosphoric Acid

Phosphoric Acid

SCHEMBL9949958

C=C(C)C(=O)NCCCCN.O=P(O)(O)O

nearest known ligand 0.53

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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
PAOX Q6QHF9 4/20 0.53
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HIF1A Q16665 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
KDM4A O75164 1/20 0.36
TET2 Q6N021 1/20 0.36
DOHH Q9BU89 1/20 0.36
SLC6A5 Q9Y345 2/20 0.36
GABBR2 O75899 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL109078 0.93 PAOX (0.61) PAOXGNAI3GNAO1GNAI1HIF1A
SCHEMBL110911 0.91 PAOX (0.64) PAOXGNAI3GNAO1GNAI1HIF1A
Hydrochloric Acid SCHEMBL21772194 0.91 PAOX (0.59) PAOXGNAI3GNAO1GNAI1HIF1A
SCHEMBL3508069 0.91 PAOX (0.64) PAOXGNAI3GNAO1GNAI1HIF1A
Hydrochloric Acid SCHEMBL29050250 0.89 PAOX (0.62) PAOXGNAI3GNAO1GNAI1HIF1A
Hydrochloric Acid SCHEMBL21772210 0.89 PAOX (0.62) PAOXGNAI3GNAO1GNAI1HIF1A
Phosphoric Acid SCHEMBL9950456 0.87 PAOX (0.35) PAOXCA12CA1CA2CA9
SCHEMBL28954974 0.87 PAOX (0.52) PAOXGNAI3GNAO1GNAI1HIF1A
Phosphoric Acid SCHEMBL3769852 0.87 CA12 (0.41) PAOXCA12CA1CA2CA9
SCHEMBL49567 0.87 PAOX (0.52) PAOXGNAI3GNAO1GNAI1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102531943-B Novel compound and method for preparing the same FUJIFILM CORP 2015-05-27 CN disclosed
US-8722931-B2 Compound and method for preparing the same FUJIFILM CORPORATION (JP) 2014-05-13 US disclosed
EP-2468715-B1 Novel compound and method for preparing the same FUJIFILM CORP (JP) 2013-04-17 EP disclosed
US-20120165572-A1 NOVEL COMPOUND AND METHOD FOR PREPARING THE SAME FUJIFILM CORPORATION (JP) 2012-06-28 US disclosed
EP-2468715-A1 Novel compound and method for preparing the same Fujifilm Corporation (JP) 2012-06-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120165572-A1 NOVEL COMPOUND AND METHOD FOR PREPARING THE SAME ADCY1, ADCY2, ADCY5 PAOX 2295/4885GNAI3 548/4885GNAO1 314/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.