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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 20/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL18154588 | 1.00 | MCHR1 (0.61) | MCHR1CYP3A4KCNH2 | |
| SCHEMBL18154520 | 0.94 | MCHR1 (0.67) | MCHR1CYP3A4KCNH2 | |
| SCHEMBL21981718 | 0.86 | MCHR1 (0.56) | MCHR1KCNH2 | |
| SCHEMBL21981715 | 0.86 | MCHR1 (0.56) | MCHR1KCNH2 | |
| SCHEMBL31573838 | 0.86 | MCHR1 (0.56) | MCHR1KCNH2 | |
| SCHEMBL18154549 | 0.83 | MCHR1 (0.61) | MCHR1CYP3A4KCNH2 | |
| SCHEMBL21981712 | 0.83 | MCHR1 (0.53) | MCHR1CYP3A4KCNH2 | |
| SCHEMBL30700892 | 0.83 | MCHR1 (0.53) | MCHR1CYP3A4KCNH2 | |
| Maleic Acid SCHEMBL21981721 | 0.82 | MCHR1 (0.53) | MCHR1CYP3A4KCNH2 | |
| SCHEMBL31573843 | 0.81 | MCHR1 (0.51) | MCHR1CYP3A4KCNH2 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3286193-A1 | INDOLE DERIVATIVES | Richter Gedeon Nyrt. (HU) | 2018-02-28 | — | — | EP | disclosed |
| WO-2016166684-A1 | INDOLE DERIVATIVES | RICHTER GEDEON NYRT. (HU) | 2016-10-20 | — | — | WO | disclosed |