Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric 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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.52 |
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.52 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.52 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.52 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.52 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.52 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.52 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.52 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.52 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.52 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | SLC22A2 | O15244 | 2/20 | 0.52 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.52 |
| ▸ | SLC22A3 | O75751 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL22747970 | 0.99 | CYP3A4 (0.53) | CYP3A4SLC6A2HTR2ASLC22A2SLC22A1 | |
| Fumaric Acid SCHEMBL27089558 | 0.91 | HDAC8 (0.61) | CYP3A4SLC6A2HTR2ASLC22A2SLC22A1 | |
| Maleic Acid SCHEMBL27089594 | 0.91 | HDAC8 (0.49) | CYP3A4SLC6A2HTR2ASLC22A2SLC22A1 | |
| SCHEMBL22748043 | 0.89 | HDAC8 (0.50) | CYP3A4SLC6A2HTR2ASLC22A2SLC22A1 | |
| SCHEMBL22748057 | 0.89 | HDAC8 (0.61) | CYP3A4SLC6A2HTR2ASLC22A2SLC22A1 | |
| SCHEMBL29485772 | 0.89 | HDAC8 (0.61) | CYP3A4SLC6A2HTR2ASLC22A2SLC22A1 | |
| Fumaric Acid SCHEMBL30029750 | 0.88 | ALDH1A1 (0.47) | CYP3A4SLC6A2HTR2ASLC22A2SLC22A1 | |
| Maleic Acid SCHEMBL22748159 | 0.88 | HDAC8 (0.57) | CYP3A4SLC6A2HTR2ASLC22A1CHRM2 | |
| Maleic Acid SCHEMBL27089592 | 0.87 | GRIN1 (0.45) | CYP3A4SLC6A2HTR2ASLC22A2SLC22A1 | |
| Maleic Acid SCHEMBL27089508 | 0.87 | HDAC8 (0.56) | CYP3A4SLC6A2HTR2ASLC22A1CHRM2 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3976185-B1 | HECT E3 LIGASE INHIBITORS AND USES THEREOF | IFOM ST FONDAZIONE DI ONCOLOGIA MOLECOLARE ETS (IT) | 2024-02-14 | — | — | EP | disclosed |