Maleic Acid

Maleic Acid

SCHEMBL28461578

N#CC(C#N)=C(S)S.O=C(O)/C=C\C(=O)O

nearest known ligand 0.45

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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 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL5572445 0.78
Fumaric Acid SCHEMBL27171220 0.75 TSHR (0.60) TSHRTP53EGLN1EGLN3MEN1
SCHEMBL9188910 0.74 KDM4E (0.30) MEN1KMT2A
Methane SCHEMBL7920519 0.74
SCHEMBL9730109 0.74 KDM4E (0.30) MEN1KMT2A
SCHEMBL8554549 0.74
Fumaric Acid SCHEMBL793772 0.71 TSHR (0.90) TSHRTP53EGLN1EGLN3MEN1
Fumaric Acid SCHEMBL363366 0.71 TSHR (0.90) TSHRTP53EGLN1EGLN3MEN1
Fumaric Acid SCHEMBL21815645 0.71
Maleic Acid SCHEMBL7337222 0.71 TSHR (0.90) TSHRTP53EGLN1EGLN3MEN1

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-108912179-B Application of mononuclear nickel complex containing mnt ligand as electrocatalytic hydrogen production catalyst 四川理工学院 2020-06-23 CN disclosed