Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 9/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.43 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30194137 | 0.85 | AXL (0.48) | TRPA1MAPK14BRD4TLR8MAPK8 | |
| SCHEMBL20160340 | 0.85 | MAPK14 (0.43) | TRPA1MAPK14BRD4TLR8MAPK8 | |
| SCHEMBL2443701 | 0.85 | AXL (0.48) | TRPA1MAPK14BRD4TLR8MAPK8 | |
| SCHEMBL31371559 | 0.81 | CTNNB1 (0.41) | TRPA1MAPK14CTNNB1WNT3A | |
| SCHEMBL31371693 | 0.80 | BRD4 (0.43) | TRPA1MAPK14BRD4MAPK8CTNNB1 | |
| SCHEMBL5043115 | 0.79 | ROCK1 (0.52) | TRPA1MAPK14CTNNB1WNT3A | |
| SCHEMBL4018708 | 0.78 | HSPB1 (0.47) | TRPA1MAPK14MAPK8FGFR2 | |
| SCHEMBL680269 | 0.76 | METAP2 (0.53) | TRPA1TLR8FGFR2AXL | |
| SCHEMBL20159902 | 0.74 | MAPK14 (0.38) | TRPA1MAPK14BRD4TLR8MAPK8 | |
| SCHEMBL22764064 | 0.74 | MAPK14 (0.39) | TRPA1MAPK14BRD4MAPK8 |
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-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 |
| 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 |