Malic Acid

Malic Acid

SCHEMBL9615896

CC(O)COC(C)COC(C)COC(C)CO.CCCCC(O)COCCOCCOCCO.O=C(O)CC(O)C(=O)O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

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 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
GPR84 Q9NQS5 4/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLA2G2C Q5R387 1/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30

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 SCHEMBL9615895 0.91 TDP1 (0.40) TDP1GPR84USP2SMN1; SMN2MEN1
Fumaric Acid SCHEMBL9719242 0.86 TDP1 (0.44) TDP1USP2CYP1A2CYP3A4CYP2C19
Malic Acid SCHEMBL2952799 0.85 TDP1 (0.59) TDP1USP2HSD17B10SMN1; SMN2
Malic Acid SCHEMBL2963342 0.83 TDP1 (0.60) TDP1USP2HSD17B10SMN1; SMN2
Malic Acid SCHEMBL2959967 0.83 TDP1 (0.51) TDP1USP2HSD17B10SMN1; SMN2
Malic Acid SCHEMBL9615894 0.81 GPR84 (0.38) GPR84USP2CYP1A2CYP3A4CYP2C19
Malic Acid SCHEMBL2953325 0.78 TDP1 (0.43) TDP1SMN1; SMN2
Malic Acid SCHEMBL2956745 0.76 TDP1 (0.44) TDP1SMN1; SMN2
Malic Acid SCHEMBL2958837 0.76 SMN1; SMN2 (0.44) TDP1HSD17B10SMN1; SMN2
Malic Acid SCHEMBL2960000 0.76 SMN1; SMN2 (0.44) TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4175253-A None JP disclosed
JP-H04175253-A AGENT FOR PREVENTING LOWERING OF FLUIDITY OF CEMENT COMPOSITION N M B:KK 1992-06-23 JP disclosed