Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 10/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155521 | 0.83 | EPAS1 (0.44) | TRPA1MAP4K4HSPB1ALDH1A1 | |
| SCHEMBL20155430 | 0.82 | TRPA1 (0.45) | TRPA1MAP4K4HSPB1SLC6A2SLC6A4 | |
| SCHEMBL20160228 | 0.74 | BRD4 (0.49) | TRPA1MAP4K4HSPB1SLC6A2SLC6A4 | |
| SCHEMBL12181242 | 0.73 | CYP3A4 (0.37) | SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL10456772 | 0.71 | TRPA1 (0.56) | TRPA1MAP4K4HSPB1ALDH1A1 | |
| SCHEMBL2443815 | 0.71 | EPAS1 (0.48) | TRPA1MAP4K4HSPB1SLC6A2SLC6A4 | |
| SCHEMBL9658659 | 0.69 | AR (0.47) | TRPA1HSPB1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1338646 | 0.69 | KDM4E (0.55) | TRPA1MAP4K4HSPB1SLC6A2SLC6A4 | |
| SCHEMBL22359718 | 0.69 | NPC1 (0.38) | ALDH1A1 | |
| SCHEMBL9658564 | 0.69 | BRD4 (0.42) | TRPA1SLC6A2SLC6A4SLC6A3BRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |