Phosphoric Acid

Phosphoric Acid

SCHEMBL8798516

COc1cc(NC(=O)N(Cc2ccncc2)c2cccnc2)c(O)c(C(C)(C)C)c1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O

nearest known ligand 0.39

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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 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
GAA P10253 2/20 0.39
QPCT Q16769 2/20 0.35
PDK1 Q15118 2/20 0.35
ALDH1A1 P00352 3/20 0.35
NR1H4 Q96RI1 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ABCB1 P08183 1/20 0.34
MEN1 O00255 1/20 0.34
AGTR1 P30556 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8799816 0.97 HTT (0.41) HTTGAAQPCTPDK1ALDH1A1
Triphosphate SCHEMBL8798540 0.94 HTT (0.37) HTTGAAQPCTPDK1ALDH1A1
SCHEMBL8798468 0.88 GAA (0.43) HTTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL8798528 0.84 HTT (0.37) HTTGAAQPCTPDK1ALDH1A1
SCHEMBL8373943 0.72 KDM4E (0.55) ALDH1A1SMN1; SMN2TSHRKDM4EKMT2A
Hydrochloric Acid SCHEMBL8704585 0.72 KDM4E (0.54) ALDH1A1SMN1; SMN2TSHRKDM4EKMT2A
Hydrochloric Acid SCHEMBL8798247 0.70 GAA (0.47) HTTGAAALDH1A1SMN1; SMN2POLB
SCHEMBL8708827 0.69 TSHR (0.56) HTTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL8799596 0.69 VCAM1 (0.39) LMNAPOLBRAB9AMEN1KMT2A
SCHEMBL8798236 0.69 MEN1 (0.36) LMNATSHRPOLBALOX15KDM4E

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
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP disclosed