Maleic Acid

Maleic Acid

SCHEMBL3663487

O=C(O)/C=C\C(=O)O.S=C1N=CCN1

nearest known ligand 0.35

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 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
MAPT P10636 1/20 0.31
KDM4E B2RXH2 2/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
Fumaric Acid SCHEMBL3665992 1.00 TSHR (0.35) TSHRTP53EGLN1EGLN3MAPT
Hydrochloric Acid SCHEMBL5399209 0.79
Fumaric Acid SCHEMBL27312490 0.61 TSHR (0.60) TSHRTP53EGLN1EGLN3MAPT
Maleic Acid SCHEMBL27512927 0.61 TSHR (0.60) TSHRTP53EGLN1EGLN3MAPT
Fumaric Acid SCHEMBL14717098 0.59 TSHR (0.82) TSHRTP53EGLN1EGLN3MAPT
Maleic Acid SCHEMBL29014432 0.59
Maleic Acid SCHEMBL29929045 0.59 TSHR (0.82) TSHRTP53EGLN1EGLN3MAPT
Maleic Acid SCHEMBL28479275 0.59 TSHR (0.82) TSHRTP53EGLN1EGLN3MAPT
Maleic Acid SCHEMBL30753765 0.59 TSHR (0.82) TSHRTP53EGLN1EGLN3MAPT
Maleic Acid SCHEMBL27583410 0.59 TSHR (0.82) TSHRTP53EGLN1EGLN3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231648-A1 NEW SALTS AND CRYSTAL FORMS BIAL - Portela & Ca., S.A. (PT) 2010-09-29 EP claimed
WO-2009072915-A1 NEW SALTS AND CRYSTAL FORMS BIAL - PORTELA & CA., S.A. (PT) 2009-06-11 WO claimed