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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
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 SCHEMBL9625740 | 1.00 | ESR1 (0.47) | ESR1ESR2BLMNPSR1CA12 | |
| Prisotinol SCHEMBL9625100 | 0.77 | ESR1 (0.48) | ESR1ESR2BLMNPSR1CA12 | |
| Prisotinol SCHEMBL9625103 | 0.77 | ESR1 (0.48) | ESR1ESR2BLMNPSR1CA12 | |
| Fumaric Acid SCHEMBL11375137 | 0.73 | ESR1 (0.44) | ESR1ESR2BLMNPSR1CA12 | |
| Fumaric Acid SCHEMBL11375143 | 0.73 | ESR1 (0.44) | ESR1ESR2BLMNPSR1CA12 | |
| SCHEMBL7205029 | 0.72 | SLC7A5 (0.56) | ESR1ESR2BLMNPSR1PKM | |
| SCHEMBL5283089 | 0.72 | SLC7A5 (0.56) | ESR1ESR2BLMNPSR1PKM | |
| Hydrochloric Acid SCHEMBL20422675 | 0.71 | SLC7A5 (0.54) | ESR1ESR2BLMNPSR1PKM | |
| Hydrochloric Acid SCHEMBL20422673 | 0.71 | SLC7A5 (0.54) | ESR1ESR2BLMNPSR1PKM | |
| SCHEMBL11101184 | 0.70 | ESR1 (0.64) | ESR1ESR2TAAR1 |
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-0241428-A2 | Use of 2-aminoalkyl-5-pyridinol compounds as nootropics and antidepressants | CIBA-GEIGY AG (CH) | 1987-10-14 | — | — | EP | disclosed |