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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.44 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.43 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.42 |
| ▸ | GRM8 | O00222 | 1/20 | 0.42 |
| ▸ | GRM6 | O15303 | 1/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
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 SCHEMBL11241484 | 1.00 | THRB (0.49) | THRBATMALDH1A1TAAR1TDP1 | |
| SCHEMBL6319526 | 0.87 | SLC6A4 (0.55) | ALDH1A1SLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6327248 | 0.87 | SLC6A4 (0.55) | ALDH1A1SLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6320389 | 0.87 | SLC6A4 (0.55) | ALDH1A1SLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11246034 | 0.82 | SLC6A4 (0.50) | ALDH1A1SLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL28063329 | 0.76 | THRB (0.53) | THRBATMALDH1A1TAAR1TDP1 | |
| Maleic Acid SCHEMBL11238099 | 0.73 | LMNA (0.45) | TAAR1L3MBTL1TSHR | |
| SCHEMBL9391286 | 0.73 | AOC3 (0.49) | ALDH1A1TDP1L3MBTL1CYP1A2CYP2D6 | |
| Fumaric Acid SCHEMBL11300069 | 0.73 | THRB (0.49) | THRBATMALDH1A1TAAR1GAA | |
| Fumaric Acid SCHEMBL11300065 | 0.73 | THRB (0.49) | THRBATMALDH1A1TAAR1GAA |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000322-B1 | COMPOUNDS HAVING AN ANTI-DEPRESSIVE OR TRANQUILIZING ACTIVITY, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION | Astra Läkemedel Aktiebolag (SE) | 1982-05-05 | — | — | EP | disclosed |
| EP-0028682-A2 | Intermediates useful at the preparation of compounds having anti-depressive or tranquilizing activity | Astra Läkemedel Aktiebolag (SE) | 1981-05-20 | — | — | EP | disclosed |
| EP-0000322-A1 | Compounds having an anti-depressive or tranquilizing activity, pharmaceutical compositions containing them, and processes and intermediates for their preparation | Astra Läkemedel Aktiebolag (SE) | 1979-01-10 | — | — | EP | disclosed |