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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.51 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.51 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.51 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3251917 | 0.95 | ESR1 (0.55) | ESR1PGRCHRM2HTR1AADRA2A | |
| Sulfuric Acid SCHEMBL3255152 | 0.92 | ESR1 (0.56) | ESR1PGRCHRM2HTR1AADRA2A | |
| Celivarone SCHEMBL1543451 | 0.89 | ESR1 (0.49) | ESR1PGRCHRM2HTR1AADRA2A | |
| Celivarone SCHEMBL1543449 | 0.89 | ESR1 (0.49) | ESR1PGRCHRM2HTR1AADRA2A | |
| SCHEMBL6597935 | 0.83 | ESR1 (0.49) | ESR1PGRCHRM2HTR1AADRA2A | |
| SCHEMBL6594991 | 0.83 | ESR1 (0.49) | ESR1PGRCHRM2HTR1AADRA2A | |
| Celivarone SCHEMBL3251183 | 0.83 | ESR1 (0.53) | ESR1PGRCHRM2HTR1AADRA2A | |
| Celivarone SCHEMBL29378821 | 0.83 | ESR1 (0.53) | ESR1PGRCHRM2HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL6594179 | 0.83 | ABCB11 (0.50) | ESR1PGRCHRM2HTR1AADRA2A | |
| Celivarone SCHEMBL6139507 | 0.83 | ESR1 (0.51) | ESR1PGRCHRM2HTR1AADRA2A |
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-1315709-B1 | AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME | SANOFI AVENTIS (FR) | 2010-05-26 | — | — | EP | claimed |