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 | 1/20 | 0.36 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 SCHEMBL8760258 | 1.00 | CYP3A4 (0.57) | CYP3A4CYP1A2RECQLMAPK1ALDH1A1 | |
| SCHEMBL8761086 | 0.94 | CYP3A4 (0.64) | CYP3A4CYP1A2RECQLMAPK1ALDH1A1 | |
| Maleic Acid SCHEMBL8761341 | 0.82 | CYP3A4 (0.60) | CYP3A4CYP1A2RECQLMAPK1ALDH1A1 | |
| Fumaric Acid SCHEMBL8761355 | 0.82 | CYP3A4 (0.60) | CYP3A4CYP1A2RECQLMAPK1ALDH1A1 | |
| Fumaric Acid SCHEMBL8866019 | 0.81 | CYP3A4 (0.62) | CYP3A4CYP1A2RECQLMAPK1ALDH1A1 | |
| Fumaric Acid SCHEMBL8866003 | 0.81 | CYP3A4 (0.62) | CYP3A4CYP1A2RECQLMAPK1ALDH1A1 | |
| Maleic Acid SCHEMBL9482672 | 0.81 | TAAR1 (0.44) | CYP3A4CYP1A2RECQLALDH1A1CYP2C19 | |
| Remacemide SCHEMBL31270066 | 0.81 | CYP3A4 (0.86) | CYP3A4CYP1A2RECQLMAPK1ALDH1A1 | |
| Fumaric Acid SCHEMBL9482681 | 0.81 | TAAR1 (0.44) | CYP3A4CYP1A2RECQLALDH1A1CYP2C19 | |
| Remacemide SCHEMBL7266094 | 0.81 | CYP3A4 (0.86) | CYP3A4CYP1A2RECQLMAPK1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0557305-B1 | (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES | ASTRA AB (SE) | 1997-06-11 | — | — | EP | disclosed |
| EP-0557305-A1 | (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES. | FISONS CORP (US) | 1993-09-01 | — | — | EP | disclosed |
| US-5109017-A | (2-thienyl)alkylamine derivatives having neuroprotective properties | FISONS CORPORATION (US) | 1992-04-28 | — | — | US | disclosed |
| WO-1992005169-A1 | (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES | FISONS CORPORATION (US) | 1992-04-02 | — | — | WO | disclosed |