Malic Acid

Malic Acid

SCHEMBL14740593

C=C(CCO)C(=O)O.O=C(O)CC(O)C(=O)O

nearest known ligand 0.61

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Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDRD2HTR1BHTR1DHTR1F

The experimentally established mechanism targets of Malic 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
TET2 Q6N021 6/20 0.61
TET3 O43151 2/20 0.61
TET1 Q8NFU7 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.58
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRM1 Q13255 1/20 0.39
GRM2 Q14416 1/20 0.39
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
OR51E2 Q9H255 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
FOLH1 Q04609 1/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KMO O15229 1/20 0.31

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
Malic Acid SCHEMBL14740584 0.89 TET2 (0.57) TET2TET3TET1SMN1; SMN2GRIK1
Itaconate SCHEMBL11094945 0.80 TET2 (0.65) TET2TET3TET1SMN1; SMN2GRIK1
Malic Acid SCHEMBL28317492 0.79 SMN1; SMN2 (0.83) TET2TET3TET1SMN1; SMN2KDM4A
Malic Acid SCHEMBL27748793 0.79 SMN1; SMN2 (0.83) TET2TET3TET1SMN1; SMN2KDM4A
SCHEMBL16661 0.78
SCHEMBL7758820 0.78 TET2 (0.40) TET2TET3TET1GRIK1GRIK2
SCHEMBL1993688 0.77 TET2 (1.00) TET2TET3TET1SMN1; SMN2GRIK1
SCHEMBL1998945 0.77 TET2 (1.00) TET2TET3TET1SMN1; SMN2GRIK1
SCHEMBL1993690 0.77 TET2 (1.00) TET2TET3TET1SMN1; SMN2GRIK1
Succinic Acid SCHEMBL2484910 0.77 LMNA (0.47) TET2TET3TET1GRIK1GRIK2

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
WO-2013032190-A1 PHOTOPOLYMERIZABLE UNSATURATED RESIN, PHOTOSENSITIVE RESIN COMPOSITION COMPRISING THE SAME, AND LIGHT SHIELDING SPACER AND LIQUID CRYSTAL DISPLAY DEVICE FORMED THEREFROM ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-03-07 WO claimed