Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 6/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 7/20 | 0.34 |
| ▸ | BTK | Q06187 | 2/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | TEC | P42680 | 1/20 | 0.33 |
| ▸ | ITK | Q08881 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20159885 | 0.86 | BRD4 (0.36) | MAPK14BRD4MAPK8 | |
| SCHEMBL20160229 | 0.75 | BRD4 (0.44) | MAPK14TRPA1BRD4 | |
| SCHEMBL20155327 | 0.74 | TRPA1 (0.45) | MAPK14TRPA1BRD4TLR8MAPK8 | |
| SCHEMBL20159872 | 0.73 | BRD4 (0.51) | BRD4 | |
| SCHEMBL20160050 | 0.72 | BRD4 (0.46) | MAPK14BRD4 | |
| SCHEMBL20160251 | 0.71 | BRD4 (0.41) | BRD4 | |
| SCHEMBL20160026 | 0.70 | BRD4 (0.42) | MAPK14BRD4 | |
| SCHEMBL20160240 | 0.70 | BRD4 (0.49) | MAPK14BRD4MAPK8 | |
| SCHEMBL20160266 | 0.69 | BRD4 (0.39) | MAPK14TRPA1BRD4 | |
| SCHEMBL20160306 | 0.69 | BRD4 (0.41) | MAPK14BRD4 |
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-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 |