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 | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.51 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.47 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.47 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 18/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | DRD3 | P35462 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
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 SCHEMBL9867016 | 1.00 | DRD4 (0.55) | DRD4CYP3A4DRD3DRD2CYP1A2 | |
| Fumaric Acid SCHEMBL9866524 | 0.92 | CYP3A4 (0.64) | DRD4CYP3A4DRD3DRD2CYP1A2 | |
| Fumaric Acid SCHEMBL9866529 | 0.92 | CYP3A4 (0.64) | DRD4CYP3A4DRD3DRD2CYP1A2 | |
| SCHEMBL9866907 | 0.91 | DRD4 (0.53) | DRD4CYP3A4DRD3DRD2CYP1A2 | |
| SCHEMBL9867273 | 0.88 | DRD4 (0.65) | DRD4CYP3A4DRD3DRD2CYP1A2 | |
| SCHEMBL9867490 | 0.84 | DRD4 (0.62) | DRD4CYP3A4DRD3DRD2CYP1A2 | |
| SCHEMBL9867111 | 0.83 | MCHR1 (0.56) | DRD4CYP3A4DRD3DRD2CYP1A2 | |
| SCHEMBL9867107 | 0.83 | MCHR1 (0.56) | DRD4CYP3A4DRD3DRD2CYP1A2 | |
| SCHEMBL9867056 | 0.81 | DRD4 (0.55) | DRD4CYP3A4DRD3DRD2CYP1A2 | |
| SCHEMBL9866864 | 0.81 | DRD4 (0.55) | DRD4CYP3A4DRD3DRD2CYP1A2 |
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-5026858-A | Used for treating nausea, vomating, gastrointestinal disorders and centarl nervous system | WALTON S.A. (ES) | 1991-06-25 | — | — | US | disclosed |