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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 7/20 | 0.38 |
| ▸ | ADRB1 known ✓ | P08588 | 6/20 | 0.38 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.36 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.35 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.34 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.34 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.34 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.34 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.34 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Picumeterol SCHEMBL666136 | 0.93 | SLC2A1 (0.68) | SLC2A1ADRB2ADRB1ADRB3ALDH1A1 | |
| Picumeterol SCHEMBL9858096 | 0.93 | SLC2A1 (0.68) | SLC2A1ADRB2ADRB1ADRB3ALDH1A1 | |
| Picumeterol SCHEMBL29414334 | 0.86 | SLC2A1 (0.57) | SLC2A1ADRB2ADRB1ADRB3KDM4E | |
| SCHEMBL10416913 | 0.86 | SLC2A1 (0.57) | SLC2A1ADRB2ADRB1ADRB3KDM4E | |
| Picumeterol SCHEMBL9857897 | 0.86 | SLC2A1 (0.57) | SLC2A1ADRB2ADRB1ADRB3KDM4E | |
| Picumeterol SCHEMBL156907 | 0.86 | SLC2A1 (0.57) | SLC2A1ADRB2ADRB1ADRB3KDM4E | |
| Picumeterol SCHEMBL83175 | 0.86 | SLC2A1 (0.57) | SLC2A1ADRB2ADRB1ADRB3KDM4E | |
| SCHEMBL2170810 | 0.85 | SLC2A1 (0.44) | SLC2A1ADRB2ADRB1ALDH1A1PKM | |
| Fumaric Acid SCHEMBL10591707 | 0.85 | SLC2A1 (0.51) | SLC2A1ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL10391329 | 0.85 | SLC2A1 (0.57) | SLC2A1ADRB2ADRB1ADRB3KDM4E |
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-0460924-A1 | Dichloroaniline compound | GLAXO GROUP LIMITED (GB) | 1991-12-11 | — | — | EP | disclosed |