Phosphoric Acid

Phosphoric Acid

SCHEMBL28586709

O=P(O)(O)O.O=c1oc2ccccc2cc1F

nearest known ligand 0.56

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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
TYR P14679 1/20 0.56
DAO P14920 1/20 0.56
AKR1B1 P15121 1/20 0.56
HPGD P15428 1/20 0.56
MAOB P27338 12/20 0.54
MAOA P21397 4/20 0.54
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
CA1 P00915 1/20 0.51
CA3 P07451 1/20 0.51
TSHR P16473 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
GPR35 Q9HC97 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 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
SCHEMBL4056264 0.91 HPGD (0.60) TYRDAOAKR1B1HPGDMAOB
3-Hydroxycoumarin SCHEMBL28805372 0.81 HPGD (0.86) TYRDAOAKR1B1HPGDMAOB
SCHEMBL30876784 0.77 HPGD (0.58) TYRDAOAKR1B1HPGDMAOB
SCHEMBL4917067 0.77 HPGD (0.58) TYRDAOAKR1B1HPGDMAOB
Phosphoric Acid SCHEMBL27693937 0.77 MAOB (0.58) TYRDAOAKR1B1HPGDMAOB
SCHEMBL1325816 0.73 MMP2 (0.54) TYRDAOAKR1B1HPGDMAOB
SCHEMBL4970506 0.72 MAOB (0.62) TYRDAOAKR1B1HPGDMAOB
3-Hydroxycoumarin SCHEMBL76090 0.72 HPGD (1.00) TYRDAOAKR1B1HPGDMAOB
3-Hydroxycoumarin SCHEMBL29397603 0.72 HPGD (1.00) TYRDAOAKR1B1HPGDMAOB
SCHEMBL10795160 0.71 MAOA (0.60) HPGDMAOBMAOACA12CA9

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
CN-112961185-B Fluorine-containing coumarin phosphate derivative and preparation method and application thereof 河南农业大学 2022-06-17 CN claimed
CN-112961185-A Fluorine-containing coumarin phosphate derivative and preparation method and application thereof 河南农业大学 2021-06-15 CN claimed