Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26366254 | 0.80 | EPHX1 (0.46) | EPHX1SMN1; SMN2ALDH1A1THRB | |
| SCHEMBL10705526 | 0.80 | EPHX1 (0.46) | EPHX1SMN1; SMN2ALDH1A1THRB | |
| SCHEMBL24088960 | 0.80 | EPHX1 (0.46) | EPHX1SMN1; SMN2ALDH1A1THRB | |
| SCHEMBL2003607 | 0.76 | — | — | |
| Fumaric Acid SCHEMBL28133862 | 0.76 | HCAR2 (0.64) | HCAR2PLA2G1BATG4BALDH1A1THRA | |
| Maleic Acid SCHEMBL11695225 | 0.76 | HCAR2 (0.64) | HCAR2PLA2G1BATG4BALDH1A1THRA | |
| Fumaric Acid SCHEMBL11249020 | 0.75 | ALDH1A1 (0.56) | HCAR2EPHX1ALDH1A1ZDHHC20ZDHHC2 | |
| Maleic Acid SCHEMBL11249013 | 0.75 | ALDH1A1 (0.56) | HCAR2EPHX1ALDH1A1ZDHHC20ZDHHC2 | |
| Octane SCHEMBL2904002 | 0.73 | HCAR2 (0.65) | HCAR2ALDH1A1 | |
| Decane SCHEMBL9668679 | 0.73 | HCAR2 (0.65) | HCAR2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017060420-A1 | PROTECTED FUMARIC ACID-BASED METABOLITES FOR THE TREATMENT OF AUTOIMMUNE DISEASES | NEUROVIVE PHARMACEUTICAL AB (SE) | 2017-04-13 | — | — | WO | disclosed |
| WO-2017060420-A1 | PROTECTED FUMARIC ACID-BASED METABOLITES FOR THE TREATMENT OF AUTOIMMUNE DISEASES | NEUROVIVE PHARMACEUTICAL AB (SE) | 2017-04-13 | — | — | WO | disclosed |