Phosphoric Acid

Phosphoric Acid

SCHEMBL3264407

C.O=P(O)(O)O.O=P(O)(O)O.c1ccc2cc3cc4c(ccc5cc6ccccc6cc54)cc3cc2c1

nearest known ligand 0.50

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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
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 4/20 0.50
HIF1A Q16665 2/20 0.50
CYP1B1 Q16678 1/20 0.50
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
PTPN1 P18031 4/20 0.44
CYP1A2 P05177 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR84 Q9NQS5 1/20 0.40

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 SCHEMBL8054908 0.98 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
Benzene SCHEMBL28556778 0.96 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
Phosphoric Acid SCHEMBL3263620 0.92 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
Phosphoric Acid SCHEMBL28139728 0.84 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL190685 0.83 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL31127473 0.83 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
Anthracene SCHEMBL30445062 0.83 PTPN1 (0.50) ALDH1A1HSD17B10HIF1AKDM4EGAA
SCHEMBL15063036 0.83 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL25966 0.83 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
Anthracene SCHEMBL3791042 0.83 PTPN1 (0.50) ALDH1A1HSD17B10HIF1AKDM4EGAA

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
US-7745108-B2 Method for identifying terpene synthase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-29 US claimed
US-20070264632-A1 Method for Identification of Enzymes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-11-15 US claimed
WO-2005057176-A2 METHOD FOR IDENTIFICATION OF ENZYMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-06-23 WO claimed
US-7745108-B2 Method for identifying terpene synthase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-29 US disclosed
US-20070264632-A1 Method for Identification of Enzymes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-11-15 US disclosed