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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 11/20 | 0.39 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.36 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.36 |
| ▸ | CACNA1F known ✓ | O60840 | 2/20 | 0.36 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.36 |
| ▸ | CACNA1D known ✓ | Q01668 | 2/20 | 0.36 |
| ▸ | CACNA1S known ✓ | Q13698 | 2/20 | 0.36 |
| ▸ | CACNA1C known ✓ | Q13936 | 2/20 | 0.36 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.34 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.36 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.36 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL8780803 | 1.00 | KCNH2 (0.39) | KCNH2KDM4ESLC6A4SLC22A2ADRB1 | |
| SCHEMBL8780929 | 0.93 | KCNH2 (0.42) | KCNH2KDM4ESLC6A4SLC22A2ADRB1 | |
| SCHEMBL8780747 | 0.90 | KDM4E (0.42) | KCNH2KDM4ESLC6A4SLC22A2ADRB1 | |
| SCHEMBL8780864 | 0.89 | KCNH2 (0.44) | KCNH2KDM4ESLC6A4SLC22A2ADRB1 | |
| SCHEMBL8780885 | 0.85 | HPGD (0.39) | KCNH2SLC6A4SLC22A2ADRB1SLC47A2 | |
| SCHEMBL8780780 | 0.83 | KCNH2 (0.42) | KCNH2KDM4ESLC6A4SLC22A2ADRB1 | |
| SCHEMBL8780759 | 0.83 | TRIM24 (0.44) | DRD3RXFP1HTR2A | |
| SCHEMBL8780834 | 0.83 | KMT2A (0.39) | KCNH2DRD3ALDH1A1HTR2A | |
| SCHEMBL8780863 | 0.82 | KCNH2 (0.41) | KCNH2KDM4ESLC6A4SLC22A2ADRB1 | |
| SCHEMBL8780894 | 0.81 | KCNH2 (0.44) | KCNH2KDM4ESLC6A4CACNA1FCHRM2 |
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-0697407-B1 | Pyrimidinedione derivatives and antiarrhythmic compositions containing same | MITSUI TOATSU CHEMICALS (JP) | 1997-06-25 | — | — | EP | disclosed |
| EP-0697407-A1 | Pyrimidinedione derivatives and antiarrhythmic compositions containing same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-02-21 | — | — | EP | disclosed |