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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL8089361 | 1.00 | — | — | |
| SCHEMBL8081188 | 0.83 | CYP1A2 (0.33) | — | |
| SCHEMBL8082681 | 0.83 | CYP1A2 (0.34) | — | |
| SCHEMBL8089394 | 0.80 | CYP1A2 (0.32) | — | |
| SCHEMBL8081086 | 0.80 | CYP1A2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL8088311 | 0.79 | CYP1A2 (0.31) | — | |
| SCHEMBL8089469 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL8081179 | 0.78 | MAPT (0.37) | — | |
| SCHEMBL8092765 | 0.76 | CYP1A2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL8081072 | 0.76 | TYMS (0.32) | — |
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-6043242-A | TREATING A MAMMAL AFFLICTED WITH A DISEASE BASED ON HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-03-28 | — | — | US | disclosed |