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 | 9/20 | 0.39 |
| ▸ | SLC6A4 known ✓ | P31645 | 9/20 | 0.39 |
| ▸ | MLNR known ✓ | O43193 | 1/20 | 0.38 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.38 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.38 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.38 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.38 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.38 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.38 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 SCHEMBL6577341 | 0.89 | NOS2 (0.62) | NOS2SLC6A2SLC6A4GAACYP2D6 | |
| Fumaric Acid SCHEMBL6577350 | 0.89 | NOS2 (0.62) | NOS2SLC6A2SLC6A4GAACYP2D6 | |
| Fumaric Acid SCHEMBL6576603 | 0.86 | NOS2 (0.64) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| Fumaric Acid SCHEMBL6576607 | 0.86 | NOS2 (0.64) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| Fumaric Acid SCHEMBL6490035 | 0.86 | NOS2 (0.73) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| Fumaric Acid SCHEMBL6501018 | 0.86 | NOS2 (0.73) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| Fumaric Acid SCHEMBL6501014 | 0.86 | NOS2 (0.73) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| Fumaric Acid SCHEMBL6552948 | 0.86 | NOS2 (0.73) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| SCHEMBL6577190 | 0.78 | NOS2 (0.57) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| SCHEMBL6492744 | 0.78 | NOS2 (0.66) | NOS2SLC6A3SLC6A2SLC6A4MLNR |
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-1263714-A1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001062713-A1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | WO | disclosed |