Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31586332 | 0.78 | TRPA1 (0.50) | TRPA1MAOAMAOBPARP1CA1 | |
| SCHEMBL283346 | 0.78 | TRPA1 (0.50) | TRPA1MAOAMAOBPARP1CA1 | |
| SCHEMBL15914282 | 0.69 | GSK3A (0.42) | — | |
| Monoethanolamine SCHEMBL9090837 | 0.65 | HTR2A (0.42) | TRPA1MAOAMAOBPARP1CA1 | |
| SCHEMBL23581853 | 0.64 | PARP1 (0.39) | TRPA1MAOAMAOBPARP1CA1 | |
| SCHEMBL10546236 | 0.64 | PARP1 (0.39) | TRPA1MAOAMAOBPARP1CA1 | |
| SCHEMBL10546234 | 0.64 | CA1 (0.42) | TRPA1MAOAMAOBPARP1CA1 | |
| SCHEMBL23581855 | 0.64 | PARP1 (0.39) | TRPA1MAOAMAOBPARP1CA1 | |
| SCHEMBL461295 | 0.64 | GSK3A (0.46) | TRPA1MAOAMAOBPARP1CA1 | |
| SCHEMBL2161394 | 0.64 | PARP1 (0.39) | TRPA1MAOAMAOBPARP1CA1 |
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-0057337-A1 | 4H-Benzo(4,5)cyclohepta(1,2-b)furan derivatives, process for their preparation and their use as medicines | Delbarre, Bernard (FR) | 1982-08-11 | — | — | EP | disclosed |