Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.54 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.54 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.54 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.35 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.35 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 4/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HTR7 | P34969 | 7/20 | 0.42 |
| ▸ | HTR6 | P50406 | 13/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 3/20 | 0.37 |
| ▸ | HTR1D | P28221 | 2/20 | 0.37 |
| ▸ | HTR1F | P30939 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL1851455 | 1.00 | HTR1A (0.54) | HTR1AADRA2BHTR2AHTR2BLMNA | |
| SCHEMBL14001604 | 0.93 | HTR1A (0.60) | HTR1AADRA2BHTR2AHTR2BLMNA | |
| SCHEMBL1851454 | 0.85 | HTR1A (0.53) | HTR1AADRA2BHTR2AHTR2BLMNA | |
| SCHEMBL14051801 | 0.85 | HTR1A (0.61) | HTR1AADRA2BHTR2AHTR2BLMNA | |
| SCHEMBL8208643 | 0.80 | HTR1A (0.64) | HTR1AADRA2BHTR2AHTR2BLMNA | |
| Almotriptan SCHEMBL221132 | 0.80 | HTR1A (0.85) | HTR1AADRA2BHTR2AHTR2BLMNA | |
| Almotriptan SCHEMBL2259962 | 0.80 | HTR1A (0.85) | HTR1AADRA2BHTR2AHTR2BLMNA | |
| Almotriptan SCHEMBL1848914 | 0.80 | HTR1A (0.85) | HTR1AADRA2BHTR2AHTR2BLMNA | |
| SCHEMBL4123642 | 0.78 | HTR6 (0.46) | HTR1AADRA2BHTR2AHTR2BLMNA | |
| SCHEMBL10108909 | 0.78 | HTR1A (0.60) | HTR1AADRA2BHTR2AHTR2BLMNA |
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-2158197-B1 | METHOD FOR THE PREPARATION OF HIGH PURITY ALMOTRIPTAN | ZENTIVA KS (CZ) | 2011-05-25 | — | — | EP | disclosed |