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 | 6/20 | 0.47 |
| ▸ | HTR2C known ✓ | P28335 | 5/20 | 0.47 |
| ▸ | ADRA2A known ✓ | P08913 | 3/20 | 0.47 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.47 |
| ▸ | HTR2A known ✓ | P28223 | 5/20 | 0.42 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.37 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.37 |
| ▸ | ADRA1D known ✓ | P25100 | 2/20 | 0.37 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.37 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.37 |
| ▸ | ADRA1B known ✓ | P35368 | 2/20 | 0.37 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.37 |
| ▸ | S1PR1 known ✓ | P21453 | 1/20 | 0.36 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 6/20 | 0.47 |
| ▸ | HTR7 | P34969 | 5/20 | 0.47 |
| ▸ | HTR5A | P47898 | 4/20 | 0.47 |
| ▸ | HTR6 | P50406 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 SCHEMBL8549290 | 1.00 | HTR1A (0.47) | HTR1AHTR1BHTR2CHTR7HTR5A | |
| SCHEMBL8546978 | 0.90 | HTR2A (0.50) | HTR1AHTR1BHTR2CHTR7HTR6 | |
| Fumaric Acid SCHEMBL8549914 | 0.88 | HTR2A (0.53) | HTR1AHTR1BHTR2CHTR7HTR5A | |
| Fumaric Acid SCHEMBL8549920 | 0.88 | HTR2A (0.53) | HTR1AHTR1BHTR2CHTR7HTR5A | |
| Fumaric Acid SCHEMBL8549603 | 0.84 | HTR1A (0.46) | HTR1AHTR1BHTR2CHTR7HTR5A | |
| Fumaric Acid SCHEMBL8549599 | 0.84 | HTR1A (0.46) | HTR1AHTR1BHTR2CHTR7HTR5A | |
| Fumaric Acid SCHEMBL8545519 | 0.80 | HTR2C (0.53) | HTR1AHTR1BHTR2CHTR7HTR5A | |
| Fumaric Acid SCHEMBL8545523 | 0.80 | HTR2C (0.53) | HTR1AHTR1BHTR2CHTR7HTR5A | |
| SCHEMBL8545521 | 0.79 | HTR2A (0.44) | HTR1AHTR1BHTR2CHTR7HTR5A | |
| Oxalic Acid SCHEMBL8549166 | 0.79 | HTR2A (0.56) | HTR1AHTR1BHTR2CHTR7HTR5A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0593513-B1 | TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES | SMITHKLINE BEECHAM PLC (GB) | 1998-10-28 | — | — | EP | disclosed |
| US-5571833-A | TREATMENT OF MIGRAINE, PORTAL HYPERTENSION | SMITHKLINE BEECHAM PLC (GB) | 1996-11-05 | — | — | US | disclosed |
| EP-0593513-A1 | TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES | SMITHKLINE BEECHAM PLC (GB) | 1994-04-27 | — | — | EP | disclosed |
| WO-1993000333-A1 | TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE OR 5-HT2 RECEPTOR AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-01-07 | — | — | WO | disclosed |