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 | 3/20 | 0.53 |
| ▸ | ADRA2B known ✓ | P18089 | 3/20 | 0.53 |
| ▸ | ADRA2C known ✓ | P18825 | 3/20 | 0.53 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.53 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.53 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.53 |
| ▸ | MEN1 known ✓ | O00255 | 5/20 | 0.36 |
| ▸ | KMT2A known ✓ | Q03164 | 5/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | MASP2 | O00187 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | POLB | P06746 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL8910936 | 1.00 | ADRA2A (0.53) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Maleic Acid SCHEMBL8910932 | 1.00 | ADRA2A (0.53) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL8910159 | 0.92 | ADRA2A (0.60) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL8910163 | 0.92 | ADRA2A (0.60) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL9548517 | 0.83 | ADRA2A (0.49) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL9548512 | 0.83 | ADRA2A (0.49) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Fumaric Acid SCHEMBL8910514 | 0.82 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Maleic Acid SCHEMBL8910503 | 0.82 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Fumaric Acid SCHEMBL10349229 | 0.79 | ADRA2A (0.84) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Maleic Acid SCHEMBL10723245 | 0.79 | ADRA2A (0.84) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5639748-A | HYPOTENSIVE AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-06-17 | — | — | US | disclosed |
| EP-0630372-A1 | HETEROALKOXY BENZAZEPINES | SMITHKLINE BEECHAM CORPORATION (US) | 1994-12-28 | — | — | EP | disclosed |
| EP-0630372-A4 | HETEROALKOXY BENZAZEPINES. | SMITHKLINE BEECHAM CORP (US) | 1994-07-05 | — | — | EP | disclosed |
| WO-1993003015-A1 | HETEROALKOXY BENZAZEPINES | SMITHKLINE BEECHAM CORPORATION (US) | 1993-02-18 | — | — | WO | disclosed |