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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR known ✓ | P42345 | 1/20 | 0.43 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.42 |
| ▸ | HTR2A known ✓ | P28223 | 6/20 | 0.40 |
| ▸ | HRH1 known ✓ | P35367 | 6/20 | 0.40 |
| ▸ | SLC6A3 known ✓ | Q01959 | 6/20 | 0.40 |
| ▸ | ADRA1A known ✓ | P35348 | 5/20 | 0.40 |
| ▸ | DRD2 known ✓ | P14416 | 4/20 | 0.40 |
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.40 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.40 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.40 |
| ▸ | MLNR known ✓ | O43193 | 1/20 | 0.40 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.40 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.40 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.40 |
| ▸ | ADRA1D known ✓ | P25100 | 5/20 | 0.39 |
| ▸ | CACNA1F known ✓ | O60840 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7291379 | 0.94 | CYP3A4 (0.41) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| Fumaric Acid SCHEMBL9149650 | 0.83 | CCR2 (0.39) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| Fumaric Acid SCHEMBL9149646 | 0.83 | CCR2 (0.39) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL7291776 | 0.81 | KCNH2 (0.47) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| Fumaric Acid SCHEMBL7359414 | 0.80 | MTNR1B (0.39) | TSHR | |
| SCHEMBL7298864 | 0.78 | CCR2 (0.44) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL7322676 | 0.75 | KCNH2 (0.42) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL7289109 | 0.73 | SIGMAR1 (0.39) | DRD3DRD2KCNH2DRD4SIGMAR1 | |
| SCHEMBL7292685 | 0.72 | KCNH2 (0.51) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL7292958 | 0.72 | KCNH2 (0.38) | KMT2ADRD3SLC6A3DRD2KCNH2 |
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-0458387-A1 | Isochromane derivatives | Akzo Nobel N.V. (NL) | 1991-11-27 | — | — | EP | disclosed |