Maleic Acid

Maleic Acid

SCHEMBL7782957

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

nearest known ligand 0.43

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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
TSHR P16473 3/20 0.43
TP53 P04637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
HCAR2 Q8TDS4 4/20 0.41
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.35
KMT2A Q03164 1/20 0.34
NMT1 P30419 1/20 0.34
FAAH O00519 1/20 0.34
RECQL P46063 1/20 0.33
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
ABCC4 O15439 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
Bicarbonate SCHEMBL28501524 0.87
Acetic Acid SCHEMBL5316671 0.85
Maleic Acid SCHEMBL16228194 0.80 TSHR (0.47) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL16228196 0.80 TSHR (0.47) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL2597 0.79
Maleic Acid SCHEMBL1639455 0.78 TSHR (0.45) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL1639460 0.78 TSHR (0.45) TSHRTP53EGLN1EGLN3HCAR2
Acrylamide SCHEMBL28837510 0.76 TSHR (0.52) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
Water SCHEMBL6400627 0.76
SCHEMBL31507590 0.76

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
EP-0736582-B1 Ink, ink-jet recording process and apparatus using the same CANON KK (JP) 2001-10-10 EP disclosed
US-6174354-B1 AMPHOTERIC POLYMER HAVING BOTH ANIONIC AND CATIONIC GROUPS. CANON KABUSHIKI KAISHA (JP) 2001-01-16 US disclosed
EP-0736582-A2 Ink, ink-jet recording process and apparatus using the same CANON KABUSHIKI KAISHA (JP) 1996-10-09 EP disclosed