Maleic Acid

Maleic Acid

SCHEMBL28811648

Clc1cccc2nc3ccccc3nc12.O=C(O)/C=C\C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NQO2 P16083 3/20 0.44
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GUSB P08236 1/20 0.39
ADORA1 P30542 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL31487872 0.84 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ARAB9AGAA
SCHEMBL265259 0.84 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ARAB9AGAA
Hydrochloric Acid SCHEMBL28566743 0.82 MAPT (0.54) ALDH1A1MAPTKMT2ARAB9AGAA
Phenazine SCHEMBL28375190 0.82 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ARAB9ANQO2
SCHEMBL23589560 0.78 NQO2 (0.52) ALDH1A1MAPTKMT2ARAB9AGAA
Maleic Acid SCHEMBL123790 0.78 ALDH1A1 (0.63) ALDH1A1MAPTKMT2ARAB9AGAA
SCHEMBL31558290 0.78 NQO2 (0.52) ALDH1A1MAPTKMT2ARAB9AGAA
Maleic Acid SCHEMBL1155758 0.78 ALDH1A1 (0.63) ALDH1A1MAPTKMT2ARAB9AGAA
SCHEMBL7568127 0.76 ALDH1A1 (0.71) ALDH1A1MAPTKMT2ARAB9ANQO2
SCHEMBL7572097 0.75 ALDH1A1 (0.69) ALDH1A1MAPTKMT2ARAB9ANQO2

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
CN-110934833-B Compound paracetamol and chlorphenamine maleate granules 河北长天药业有限公司 2022-08-19 CN disclosed