Malic Acid

Malic Acid

SCHEMBL8434388

CC[N+](CC)(CC)Cc1ccccc1.CC[N+](CC)(CC)Cc1ccccc1.O=C([O-])CC(O)C(=O)[O-]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SCSF1RDRD2FLT1FLT3FLT4HTR1BHTR1DHTR1FKDRKITMETOPRD1OPRK1OPRM1PDGFRAPDGFRBRET

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 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.33
OPRK1 known ✓ P41145 1/20 0.33
CA4 P22748 2/20 0.47
ALPL P05186 1/20 0.43
POLB P06746 1/20 0.43
ALPG P10696 1/20 0.43
CYP2D6 P10635 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
TAS2R10 Q9NYW0 1/20 0.42
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRNA7 P36544 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CCR5 P51681 2/20 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
Malic Acid SCHEMBL8434393 0.91 ALPL (0.43) CA4ALPLPOLBALPGCYP2D6
Cadaverine Tartrate SCHEMBL8438862 0.86 ALPL (0.49) ALPLPOLBALPGCYP2D6MEN1
Malic Acid SCHEMBL5875038 0.85 KDM4E (0.52) CA4ALPLPOLBALPGHDAC3
Bicarbonate SCHEMBL315104 0.82 LMNA (0.50) ALPLPOLBALPGCYP2D6MEN1
Bicarbonate SCHEMBL315102 0.82 LMNA (0.50) ALPLPOLBALPGCYP2D6MEN1
Cadaverine Tartrate SCHEMBL8438869 0.82 ALPL (0.45) ALPLPOLBALPGCYP2D6MEN1
Malonic Acid SCHEMBL3957244 0.81 CYP2D6 (0.48) ALPLPOLBALPGCYP2D6MEN1
Malonic Acid SCHEMBL3957236 0.81 CYP2D6 (0.50) ALPLPOLBALPGCYP2D6MEN1
Acetic Acid SCHEMBL306020 0.81 LMNA (0.49) ALPLPOLBALPGCYP2D6MEN1
Oxalic Acid SCHEMBL1050278 0.81 LMNA (0.49) ALPLPOLBALPGCYP2D6MEN1

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-5933693-A Electroconductive elastic member and electrophotographic apparatus using same BRIDGESTONE CORPORATION (JP) 1999-08-03 US disclosed