Oxalic Acid

Oxalic Acid

SCHEMBL8173155

O=C(O)C(=O)O.O=C1CCCc2ccccc2N1

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic 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
MAPT P10636 1/20 0.83
NPC1 O15118 1/20 0.65
MAPK13 O15264 1/20 0.65
MAPK12 P53778 1/20 0.65
MAPK11 Q15759 1/20 0.65
MAPK14 Q16539 1/20 0.65
AHR P35869 1/20 0.52
PDK2 Q15119 1/20 0.52
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 1/20 0.51
CRBN Q96SW2 3/20 0.44
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
PTK2B Q14289 1/20 0.40
KIF11 P52732 1/20 0.40
GSK3B P49841 1/20 0.40
CYP2A6 P11509 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL518954 0.91 MAPT (1.00) MAPTNPC1MAPK13MAPK12MAPK11
Oxalic Acid SCHEMBL8183265 0.89 NPC1 (0.81) MAPTNPC1MAPK13MAPK12MAPK11
Trifluoroacetic Acid SCHEMBL527380 0.87 MAPT (0.73) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL2138422 0.87 MAPT (0.92) MAPTNPC1MAPK13MAPK12MAPK11
Sulfuric Acid SCHEMBL6194221 0.86 MAPT (0.83) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL21120273 0.86 MAPT (0.89) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL7439873 0.85 MAPT (0.89) MAPTNPC1MAPK13MAPK12MAPK11
Bicarbonate SCHEMBL9232742 0.84 NPC1 (0.85) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL4227502 0.79 NPC1 (1.00) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL10032 0.79 NPC1 (1.00) MAPTNPC1MAPK13MAPK12MAPK11

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-6107308-A ANTIHISTAMINE; LEUTRIENE ANTAGONIST KOWA CO., LTD. (JP) 2000-08-22 US disclosed