Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2443815 | 0.87 | EPAS1 (0.48) | TRPA1ALDH1A1MAP4K4SLC6A2SLC6A4 | |
| SCHEMBL20155404 | 0.82 | TRPA1 (0.40) | TRPA1ALDH1A1MAP4K4SLC6A2SLC6A4 | |
| SCHEMBL20160228 | 0.81 | BRD4 (0.49) | TRPA1ALDH1A1MAP4K4SLC6A2SLC6A4 | |
| SCHEMBL31371422 | 0.79 | BRD4 (0.43) | TRPA1ALDH1A1BRD4 | |
| SCHEMBL20160295 | 0.78 | EPAS1 (0.44) | TRPA1ALDH1A1SLC6A4EPAS1HSPB1 | |
| SCHEMBL10456772 | 0.78 | TRPA1 (0.56) | TRPA1ALDH1A1MAP4K4EPAS1HSPB1 | |
| SCHEMBL679191 | 0.77 | MAPK1 (0.41) | ALDH1A1SLC6A4MEN1KMT2A | |
| SCHEMBL9658659 | 0.76 | AR (0.47) | TRPA1ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1338646 | 0.75 | KDM4E (0.55) | TRPA1ALDH1A1MAP4K4SLC6A2SLC6A4 | |
| SCHEMBL20155406 | 0.75 | IDO1 (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018086585-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 |
| 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 |