Phosphoric Acid

Phosphoric Acid

SCHEMBL6558539

Cc1cccc(C)c1-c1ccc2c(-c3[c]ccc4cc(-c5c(C)cccc5C)ccc34)[c]ccc2c1.O=P(O)(O)O.O=P(O)(O)O

nearest known ligand 0.36

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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
KDR known ✓ P35968 1/20 0.30
HSD17B1 P14061 5/20 0.36
HSD17B2 P37059 5/20 0.36
GRIA1 P42261 3/20 0.36
CACNG8 Q8WXS5 3/20 0.36
SRC P12931 1/20 0.35
ABL1 P00519 3/20 0.34
HRH4 Q9H3N8 1/20 0.33
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2C19 P33261 2/20 0.33
FFAR1 O14842 1/20 0.32
DHODH Q02127 1/20 0.31
TLR8 Q9NR97 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8084499 0.74 HSD17B1 (0.40) HSD17B1HSD17B2GRIA1CACNG8SRC
SCHEMBL6557612 0.68 HSD17B1 (0.61) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
Water SCHEMBL6557294 0.67 HSD17B1 (0.59) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL6319558 0.64 ESR1 (0.42) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL6557297 0.63 GPR84 (0.51) HSD17B1HSD17B2GRIA1CACNG8SRC
SCHEMBL1133131 0.63 IKBKB (0.54) HSD17B1HSD17B2GRIA1CACNG8SRC
SCHEMBL15635986 0.62 GRIA1 (0.41) GRIA1CACNG8SRCCYP1A2CYP3A4
SCHEMBL12565770 0.61 HTR7 (0.53) GRIA1CACNG8SRCCYP1A2CYP3A4
SCHEMBL10645224 0.60 CYP2A6 (0.35) CYP1A2CYP3A4ALDH1A1
Phosphoric Acid SCHEMBL7699945 0.60 ALDH1A1 (0.50) CYP1A2CYP3A4CYP2C9ALDH1A1HPGD

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
EP-1038877-B1 Binaphthol monophosphoric acid derivative and its use TOSOH CORP (JP) 2004-03-10 EP disclosed
EP-1038877-A1 Binaphthol monophosphoric acid derivative and its use Tosoh Corporation (JP) 2000-09-27 EP disclosed