Maleic Acid

Maleic Acid

SCHEMBL11635484

N=C(N)N/N=C\c1ccccc1C1CC1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.40

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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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
STS P08842 4/20 0.38
CTRC Q99895 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL11638550 0.91 GAA (0.42) MAPTKMT2AMEN1STSCTRC
SCHEMBL11638543 0.91 GAA (0.42) MAPTKMT2AMEN1STSCTRC
Maleic Acid SCHEMBL11635486 0.80 LMNA (0.32) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL21314143 0.72 CA1 (0.55) MAPTSMN1; SMN2GAAKDM4ELMNA
Acetic Acid SCHEMBL21519392 0.70 CTRC (0.62) MAPTKMT2AMEN1CTRCDUSP3
Acetic Acid SCHEMBL21519376 0.70 SMN1; SMN2 (0.52) MAPTKMT2AMEN1CTRCDUSP3
Acetic Acid SCHEMBL21519615 0.69 MAOB (0.60) MAPTKMT2AMEN1NPC1RAB9A
Acetic Acid SCHEMBL21519428 0.69 MAPT (0.55) MAPTKMT2AMEN1CTRCDUSP3
Acetic Acid SCHEMBL916975 0.69 CTRC (0.42) MAPTKMT2AMEN1CTRCDUSP3
Acetic Acid SCHEMBL916974 0.69 CTRC (0.42) MAPTKMT2AMEN1CTRCDUSP3

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-4109008-A SUBSTITUTED WITH AN AMIDINO AND A 1,3-DIMETHYL-2-OXO-BENZIMIDAZOL- 5-YL RADICAL HEXACHIMIE (FR) 1978-08-22 US disclosed