Maleic Acid

Maleic Acid

SCHEMBL27727045

O=C(O)/C=C\C(=O)O.ON1CCCCC1

nearest known ligand 0.48

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 15)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 1/20 0.34
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.47
INMT O95050 4/20 0.41
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.36
BLM P54132 1/20 0.36
THRB P10828 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33

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
Maleic Acid SCHEMBL27628514 0.89 TSHR (0.53) TSHRTP53EGLN1EGLN3INMT
Bicarbonate SCHEMBL5594325 0.83 ALDH1A1 (0.43) GAAHTTSMN1; SMN2ALDH1A1
Acrylic Acid SCHEMBL29185437 0.82 LMNA (0.50) SMN1; SMN2ALDH1A1
Maleic Acid SCHEMBL10749964 0.80 TSHR (0.75) TSHRTP53EGLN1EGLN3INMT
Fumaric Acid SCHEMBL18586002 0.80 TSHR (0.75) TSHRTP53EGLN1EGLN3INMT
Fumaric Acid SCHEMBL4771229 0.78 TSHR (0.53) TSHRTP53EGLN1EGLN3INMT
Carbamic Acid SCHEMBL28889871 0.78 ACHE (0.41) GAANPC1SMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL29101711 0.78 FFAR3 (0.41) GAAHTTSMN1; SMN2ALDH1A1
Maleic Acid SCHEMBL31167986 0.78 TSHR (0.53) TSHRTP53EGLN1EGLN3INMT
Fumaric Acid SCHEMBL4771239 0.78 TSHR (0.53) TSHRTP53EGLN1EGLN3INMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102225046-A Transdermal drug delivery formulation NUVO RES INC 2011-10-26 CN disclosed
CN-101296691-B Transdermal drug delivery dosage form NUVO RES INC 2011-07-27 CN disclosed
CN-101296691-A transdermal drug delivery dosage form NUVO RES INC (CA) 2008-10-29 CN disclosed