Phosphoric Acid

Phosphoric Acid

SCHEMBL21465147

C#C[C@@]1(n2ccc(N)nc2=O)O[C@H](CO)[C@@H](O)[C@H]1O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O

nearest known ligand 0.45

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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
FGFR1 known ✓ P11362 1/20 0.34
LMNA P02545 4/20 0.45
THRB P10828 1/20 0.45
MTOR P42345 1/20 0.45
MDM2 Q00987 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
PDE3A Q14432 3/20 0.43
PDE4D Q08499 1/20 0.43
SLC29A1 Q99808 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CACNA1F O60840 2/20 0.34
ALB P02768 2/20 0.34
MAPT P10636 2/20 0.34
CACNA1D Q01668 2/20 0.34
CACNA1S Q13698 2/20 0.34
CACNA1C Q13936 2/20 0.34
NT5E P21589 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
SCHEMBL6832117 0.96 LMNA (0.48) LMNATHRBMTORMDM2NCOA1
SCHEMBL24522 0.96 LMNA (0.48) LMNATHRBMTORMDM2NCOA1
SCHEMBL16341980 0.96 LMNA (0.48) LMNATHRBMTORMDM2NCOA1
Hydrochloric Acid SCHEMBL562424 0.95 LMNA (0.47) LMNATHRBMTORMDM2NCOA1
SCHEMBL16729899 0.84 LMNA (0.48) LMNATHRBMTORMDM2NCOA1
SCHEMBL30001975 0.84 LMNA (0.48) LMNATHRBMTORMDM2NCOA1
SCHEMBL21586620 0.84 LMNA (0.48) LMNATHRBMTORMDM2NCOA1
SCHEMBL17999158 0.84 LMNA (0.48) LMNATHRBMTORMDM2NCOA1
SCHEMBL18013131 0.84 LMNA (0.48) LMNATHRBMTORMDM2NCOA1
SCHEMBL13454616 0.84 LMNA (0.48) LMNATHRBMTORMDM2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021146391-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C–P BONDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-22 WO disclosed
EP-3774824-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS Bristol-Myers Squibb Company (US) 2021-02-17 EP disclosed
WO-2019200273-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-17 WO disclosed