Phosphoric Acid

Phosphoric Acid

SCHEMBL7732345

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

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
HSPA5 P11021 2/20 0.53
CYP2C19 P33261 5/20 0.51
CYP2C9 P11712 4/20 0.51
HIF1A Q16665 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP2D6 P10635 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NR5A2 O00482 1/20 0.46
NR5A1 Q13285 1/20 0.46
HTT P42858 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NR1I2 O75469 1/20 0.38
HMGCR P04035 1/20 0.38

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
Phosphoric Acid SCHEMBL537669 0.97 HSPA5 (0.53) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
Phosphoric Acid SCHEMBL30397166 0.97 HSPA5 (0.53) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
Phosphoric Acid SCHEMBL7731846 0.97 HSPA5 (0.53) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
Phosphoric Acid SCHEMBL537648 0.97 HSPA5 (0.53) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
Phosphoric Acid SCHEMBL7731612 0.97 HSPA5 (0.53) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
Phosphoric Acid SCHEMBL537656 0.90 HSPA5 (0.56) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL39554 0.88 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL29500375 0.88 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL30903568 0.88 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL29407271 0.86 HSPA5 (0.43) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6437048-B1 Molded resin articles CHISSO CORPORATION (JP) 2002-08-20 US disclosed