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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 19/20 | 0.61 |
| ▸ | ADRA1B | P35368 | 19/20 | 0.61 |
| ▸ | ADRA1D | P25100 | 16/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
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 SCHEMBL9045909 | 1.00 | ADRA1A (0.61) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7821649 | 0.89 | ADRA1A (0.65) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7834846 | 0.86 | ADRA1A (0.58) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7834848 | 0.86 | ADRA1A (0.58) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL9043425 | 0.86 | ADRA1A (0.62) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL9043434 | 0.86 | ADRA1A (0.62) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7831267 | 0.84 | ADRA1A (0.56) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7834171 | 0.84 | ADRA1A (0.56) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7833555 | 0.83 | ADRA1A (0.71) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7831039 | 0.83 | ADRA1A (0.54) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 |
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-0748800-A2 | Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1996-12-18 | — | — | EP | disclosed |