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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 4/20 | 0.84 |
| ▸ | ADRA2B known ✓ | P18089 | 4/20 | 0.84 |
| ▸ | ADRA2C known ✓ | P18825 | 4/20 | 0.84 |
| ▸ | ADRA1D known ✓ | P25100 | 2/20 | 0.84 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.84 |
| ▸ | ADRA1B known ✓ | P35368 | 2/20 | 0.84 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.37 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.36 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL10723245 | 1.00 | ADRA2A (0.84) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL29389267 | 0.92 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL8091302 | 0.92 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Fumaric Acid SCHEMBL9317005 | 0.81 | ADRA2A (0.55) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Maleic Acid SCHEMBL9316993 | 0.81 | ADRA2A (0.55) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL8911267 | 0.80 | ADRA2A (0.66) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL10350070 | 0.80 | ADRA2A (0.77) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Maleic Acid SCHEMBL8910932 | 0.79 | ADRA2A (0.53) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Maleic Acid SCHEMBL8910936 | 0.79 | ADRA2A (0.53) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Fumaric Acid SCHEMBL8910949 | 0.79 | ADRA2A (0.53) | ADRA2AADRA2BADRA2CADRA1DADRA1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0238281-B1 | SELECTIVE ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1990-05-16 | — | — | EP | disclosed |
| EP-0238281-A1 | Selective alpha-adrenergic receptor antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 1987-09-23 | — | — | EP | disclosed |
| US-4683229-A | HYPOTENSIVE AGENTS | SMITHKLINE BECKMAN CORPORATION (US) | 1987-07-28 | — | — | US | disclosed |