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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 17/20 | 0.87 |
| ▸ | ADRA1A known ✓ | P35348 | 12/20 | 0.87 |
| ▸ | ADRA1B known ✓ | P35368 | 12/20 | 0.87 |
| ▸ | ADRA1D known ✓ | P25100 | 11/20 | 0.87 |
| ▸ | ADRA2A known ✓ | P08913 | 5/20 | 0.87 |
| ▸ | ADRA2C known ✓ | P18825 | 5/20 | 0.87 |
| ▸ | HRH1 known ✓ | P35367 | 5/20 | 0.87 |
| ▸ | HTR2A known ✓ | P28223 | 4/20 | 0.87 |
| ▸ | DRD2 known ✓ | P14416 | 4/20 | 0.87 |
| ▸ | ADRA2B known ✓ | P18089 | 4/20 | 0.87 |
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.87 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.87 |
| ▸ | DRD1 known ✓ | P21728 | 2/20 | 0.87 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.87 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.87 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.87 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.87 |
| ▸ | HTR2B known ✓ | P41595 | 3/20 | 0.65 |
| ▸ | DRD4 | P21917 | 5/20 | 0.87 |
| ▸ | HRH2 | P25021 | 5/20 | 0.87 |
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 SCHEMBL8553731 | 1.00 | HTR1A (0.87) | HTR1AADRA1AADRA1BADRA1DADRA2A | |
| SCHEMBL4546509 | 0.93 | HTR1A (1.00) | HTR1AADRA1AADRA1BADRA1DADRA2A | |
| SCHEMBL4546517 | 0.83 | HTR1A (0.77) | HTR1AADRA1AADRA1BADRA1DADRA2A | |
| SCHEMBL14768598 | 0.82 | HTR1A (0.78) | HTR1AADRA1AADRA1BADRA1DADRA2A | |
| SCHEMBL16510265 | 0.81 | HTR1A (0.74) | HTR1AADRA1AADRA1BADRA1DADRA2A | |
| SCHEMBL4546542 | 0.80 | HTR1A (1.00) | HTR1AADRA1AADRA1BADRA1DADRA2A | |
| SCHEMBL8595342 | 0.80 | HTR1A (0.74) | HTR1AADRA1AADRA1BADRA1DADRA2A | |
| SCHEMBL8599103 | 0.78 | HTR1A (0.71) | HTR1AADRA1AADRA1BADRA1DADRA2A | |
| SCHEMBL8595084 | 0.77 | HTR1A (0.71) | HTR1AADRA1AADRA1BADRA1DADRA2A | |
| Fumaric Acid SCHEMBL8402874 | 0.76 | HTR1A (0.64) | HTR1AADRA1AADRA1BADRA1DADRA2A |
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-0794949-B1 | NOVEL 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES, THEIR PREPARATION AND USE AS DRUGS | PF MEDICAMENT (FR) | 1998-07-29 | — | — | EP | claimed |