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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.60 |
| ▸ | NPC1 | O15118 | 7/20 | 0.50 |
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
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 SCHEMBL1794448 | 1.00 | CHRNA7 (0.60) | CHRNA7NPC1RAB9APTPN1PTPN2 | |
| SCHEMBL928242 | 0.95 | CHRNA7 (0.67) | CHRNA7NPC1RAB9APTPN1PTPN2 | |
| Fumaric Acid SCHEMBL1794447 | 0.82 | NPC1 (0.44) | CHRNA7NPC1RAB9APTPN1PTPN2 | |
| Fumaric Acid SCHEMBL1792206 | 0.82 | CHRNA7 (0.56) | CHRNA7HTR3ACHRNB4CHRNA3KCNH2 | |
| Fumaric Acid SCHEMBL1792203 | 0.82 | CHRNA7 (0.56) | CHRNA7HTR3ACHRNB4CHRNA3KCNH2 | |
| SCHEMBL928321 | 0.80 | CHRNA7 (0.62) | CHRNA7NPC1RAB9AHTR3ACHRNB4 | |
| Fumaric Acid SCHEMBL1793774 | 0.79 | CHRNA7 (0.53) | CHRNA7HTR3ACHRNB4CHRNA3KCNH2 | |
| Fumaric Acid SCHEMBL1793769 | 0.79 | CHRNA7 (0.53) | CHRNA7HTR3ACHRNB4CHRNA3KCNH2 | |
| SCHEMBL927977 | 0.77 | CHRNA7 (1.00) | CHRNA7HTR3ACHRNB4CHRNA3KCNH2 | |
| Trifluoroacetic Acid SCHEMBL1792562 | 0.77 | CHRNA7 (0.74) | CHRNA7NPC1RAB9AHTR3ACHRNB4 |
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-2316836-A1 | Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors | Abbott Laboratories (US) | 2011-05-04 | — | — | EP | disclosed |