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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 11/20 | 0.73 |
| ▸ | ADRB2 known ✓ | P07550 | 11/20 | 0.66 |
| ▸ | ADRB3 | P13945 | 15/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.66 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.66 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.66 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | GLA | P06280 | 1/20 | 0.65 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.59 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.59 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.59 |
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 SCHEMBL11178656 | 1.00 | ADRB3 (0.73) | ADRB3ADRB1ADRB2CYP2D6ADRA1D | |
| SCHEMBL9671238 | 0.94 | ADRB3 (0.78) | ADRB3ADRB1ADRB2CYP2D6ADRA1D | |
| SCHEMBL7150315 | 0.94 | ADRB3 (0.78) | ADRB3ADRB1ADRB2CYP2D6ADRA1D | |
| SCHEMBL7150308 | 0.94 | ADRB3 (0.78) | ADRB3ADRB1ADRB2CYP2D6ADRA1D | |
| SCHEMBL11183468 | 0.94 | ADRB3 (0.78) | ADRB3ADRB1ADRB2CYP2D6ADRA1D | |
| Bromide SCHEMBL10507037 | 0.93 | ADRB3 (0.77) | ADRB3ADRB1ADRB2CYP2D6ADRA1D | |
| SCHEMBL7148235 | 0.86 | ADRB3 (0.96) | ADRB3ADRB1ADRB2CYP2D6ADRA1D | |
| SCHEMBL7148233 | 0.86 | ADRB3 (0.96) | ADRB3ADRB1ADRB2CYP2D6ADRA1D | |
| SCHEMBL29389524 | 0.85 | ADRB1 (0.64) | ADRB3ADRB1ADRB2CYP2D6ADRA1D | |
| SCHEMBL9468416 | 0.84 | ADRB3 (1.00) | ADRB3ADRB1ADRB2CYP2D6ADRA1D |
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 |
|---|---|---|---|---|---|---|---|
| US-4329358-A | 3-Chlorophenyl anti-obesity agents | BEECHAM GROUP LIMITED (GB) | 1982-05-11 | — | — | US | disclosed |
| EP-0028105-A1 | Secondary amines, their preparation and use in pharmaceutical compositions | BEECHAM GROUP PLC (GB) | 1981-05-06 | — | — | EP | disclosed |