Maleic Acid

Maleic Acid

SCHEMBL28447239

Br.CCCCCCCCN(C)C.O=C(O)/C=C\C(=O)O

nearest known ligand 0.64

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Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Maleic 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
DNM1 Q05193 6/20 0.64
ZDHHC20 Q5W0Z9 1/20 0.53
HCAR2 Q8TDS4 3/20 0.50
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLA2G1B P04054 3/20 0.42
ATG4B Q9Y4P1 3/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42

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
Fumaric Acid SCHEMBL8163634 0.98 DNM1 (0.62) DNM1ZDHHC20HCAR2ALDH1A1TSHR
Maleic Acid SCHEMBL8163631 0.98 DNM1 (0.62) DNM1ZDHHC20HCAR2ALDH1A1TSHR
Bicarbonate SCHEMBL28289848 0.85 DNM1 (0.75) DNM1ALDH1A1TSHRMEN1KMT2A
Bicarbonate SCHEMBL4389120 0.85 DNM1 (0.75) DNM1ALDH1A1TSHRMEN1KMT2A
Bicarbonate SCHEMBL27740162 0.85 DNM1 (0.75) DNM1ALDH1A1TSHRMEN1KMT2A
Bicarbonate SCHEMBL1689392 0.85 DNM1 (0.75) DNM1ALDH1A1TSHRMEN1KMT2A
Bicarbonate SCHEMBL30524909 0.85 DNM1 (0.75) DNM1ALDH1A1TSHRMEN1KMT2A
Bicarbonate SCHEMBL4389117 0.85 DNM1 (0.75) DNM1ALDH1A1TSHRMEN1KMT2A
Bicarbonate SCHEMBL414156 0.85 DNM1 (0.75) DNM1ALDH1A1TSHRMEN1KMT2A
Bicarbonate SCHEMBL27083091 0.85 DNM1 (0.75) DNM1ALDH1A1TSHRMEN1KMT2A

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
CN-111471485-B Method for removing sodium salt from hydrocarbon oil 中国石油化工股份有限公司 2021-12-17 CN disclosed
CN-111471485-A Method for removing sodium salt from hydrocarbon oil 中国石油化工股份有限公司 2020-07-31 CN disclosed