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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 7/20 | 0.44 |
| ▸ | CACNA1F known ✓ | O60840 | 1/20 | 0.41 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.41 |
| ▸ | CACNA1D known ✓ | Q01668 | 1/20 | 0.41 |
| ▸ | CACNA1S known ✓ | Q13698 | 1/20 | 0.41 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
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 SCHEMBL7700757 | 1.00 | KCNH2 (0.44) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7700759 | 0.84 | MEN1 (0.35) | CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL7701317 | 0.81 | KCNH2 (0.47) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7702535 | 0.80 | KCNH2 (0.47) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7700726 | 0.79 | CYP2D6 (0.44) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7700691 | 0.77 | KCNH2 (0.48) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2008744 | 0.77 | KCNH2 (0.47) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7699375 | 0.74 | KCNH2 (0.49) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7697484 | 0.74 | KCNH2 (0.49) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7697481 | 0.74 | KCNH2 (0.49) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1037871-B1 | NOVEL ANTIARRHYTHMIC COMPOUNDS | GYOGYSZERKUTATO INTEZET (HU) | 2002-07-03 | — | — | EP | disclosed |
| US-6265445-B1 | CARDIOVASCULAR DISORDERS | GYOGYSZERKUTATO INTEZET KFT (HU) | 2001-07-24 | — | — | US | disclosed |