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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL8403322 | 0.80 | ADRA2A (0.33) | — | |
| SCHEMBL6976302 | 0.68 | ADRA2A (0.41) | — | |
| Fumaric Acid SCHEMBL8901704 | 0.65 | — | — | |
| SCHEMBL8403305 | 0.59 | ADRA2A (0.35) | — | |
| SCHEMBL7207380 | 0.57 | — | — | |
| SCHEMBL8403412 | 0.57 | ALDH1A1 (0.41) | — | |
| Maleic Acid SCHEMBL28843794 | 0.55 | KMT2A (0.53) | — | |
| Maleic Acid SCHEMBL9816275 | 0.54 | ALDH1A1 (0.38) | — | |
| SCHEMBL30302255 | 0.54 | AR (0.54) | — | |
| SCHEMBL6851140 | 0.53 | KDM4E (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5663189-A | RESPIRATORY, EYES, GASTROINTESTINAL | THE PROCTER & GAMBLE COMPANY (US) | 1997-09-02 | — | — | US | disclosed |