Malic Acid

Malic Acid

SCHEMBL8437740

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

nearest known ligand 0.48

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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
DNM1 Q05193 6/20 0.48
GPR84 Q9NQS5 6/20 0.46
HSP90AA1 P07900 3/20 0.46
APAF1 O14727 1/20 0.46
RAD52 P43351 1/20 0.46
MAPK1 P28482 4/20 0.42
GMNN O75496 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
CYP1A2 P05177 2/20 0.42
MEN1 O00255 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
TP53 P04637 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
GLA P06280 1/20 0.41

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
Cetrimonium SCHEMBL8437300 1.00 DNM1 (0.48) DNM1GPR84HSP90AA1APAF1RAD52
Malic Acid SCHEMBL8437259 1.00 DNM1 (0.48) DNM1GPR84HSP90AA1APAF1RAD52
Malic Acid SCHEMBL8437735 0.89 CA4 (0.53) DNM1HSP90AA1APAF1RAD52MAPT
Cetrimonium SCHEMBL8437296 0.89 CA4 (0.53) DNM1HSP90AA1APAF1RAD52MAPT
Malic Acid SCHEMBL8437254 0.89 CA4 (0.53) DNM1HSP90AA1APAF1RAD52MAPT
Malic Acid SCHEMBL8437738 0.87 DNM1 (0.52) DNM1GPR84HSP90AA1APAF1RAD52
Malic Acid SCHEMBL8437257 0.87 DNM1 (0.52) DNM1GPR84HSP90AA1APAF1RAD52
Cetrimonium SCHEMBL8437299 0.87 DNM1 (0.52) DNM1GPR84HSP90AA1APAF1RAD52
Malic Acid SCHEMBL11775910 0.86 DNM1 (0.50) DNM1GPR84TP53TSHRHIF1A
Tetrabuthylammonium SCHEMBL5874730 0.85 GPR84 (0.46) GPR84

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