Phosphoric Acid

Phosphoric Acid

SCHEMBL9531932

CCCCCC(Nc1nc(C)c(O)c(C)n1)c1ccccc1.O=P(O)(O)O

nearest known ligand 0.43

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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 19)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 known ✓ P35372 1/20 0.35
▸ TACR3 P29371 7/20 0.43
▸ CACNA2D1 P54289 1/20 0.39
▸ CETP P11597 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ TACR2 P21452 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL9529634 0.94 TACR3 (0.42) TACR3CACNA2D1P2RX3CYP1A2CYP2D6
SCHEMBL9530133 0.90 CACNA2D1 (0.43) TACR3CACNA2D1P2RX3SMN1; SMN2POLB
SCHEMBL10369837 0.84 GCGR (0.39) TACR3CACNA2D1POLB
Phosphoric Acid SCHEMBL10367954 0.83 TACR3 (0.41) TACR3CACNA2D1TACR2POLB
SCHEMBL9528534 0.79 TACR3 (0.42) TACR3CACNA2D1CYP1A2CYP2D6CYP2C9
Phosphoric Acid SCHEMBL9531941 0.79 POLB (0.36) TACR3P2RX3SMN1; SMN2POLB
SCHEMBL10368160 0.79 CACNA2D1 (0.41) TACR3CACNA2D1TACR2CYP1A2CYP2D6
SCHEMBL9530046 0.78 TACR3 (0.41) TACR3CACNA2D1P2RX3CYP1A2CYP2D6
SCHEMBL10367529 0.78 TACR3 (0.39) TACR3CACNA2D1CYP1A2CYP2D6CYP2C9
SCHEMBL9528223 0.78 TACR3 (0.41) TACR3CACNA2D1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319170-B1 ACYL DERIVATIVES OF HYDROXY PYRIMIDINES PFIZER INC. (US) 1993-03-17 — — EP disclosed
US-4940712-A Derivatives of hydroxyprimidines as leukotriene synthesis inhibitors PFIZER INC. (US) 1990-07-10 — — US disclosed
WO-1989005295-A1 ACYL DERIVATIVES OF HYDROXYPYRIMIDINES PFIZER INC. (US) 1989-06-15 — — WO disclosed
EP-0319170-A2 Acyl derivatives of hydroxy pyrimidines PFIZER INC. (US) 1989-06-07 — — EP disclosed
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