Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 18/20 | 0.60 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | EP300 | Q09472 | 2/20 | 0.43 |
| ▸ | BRD2 | P25440 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | TSPO | P30536 | 1/20 | 0.43 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.43 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20159992 | 0.84 | BRD4 (0.57) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL16650965 | 0.79 | BRD4 (0.53) | BRD4MAPK14 | |
| SCHEMBL6730613 | 0.77 | BRD4 (0.54) | BRD4MAPK14EP300BRD2ADORA2B | |
| SCHEMBL16868381 | 0.75 | BRD4 (0.58) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL16660689 | 0.75 | BRD4 (0.59) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL16333294 | 0.74 | BRD4 (0.57) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL15558963 | 0.73 | BRD4 (0.61) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL16651036 | 0.73 | BRD4 (0.48) | BRD4MAPK14EP300BRD2ADORA2B | |
| SCHEMBL21998726 | 0.73 | BRD4 (0.56) | BRD4MAPK14EP300 | |
| SCHEMBL16658392 | 0.72 | BRD4 (0.55) | BRD4EP300BRD2ADORA2BTSPO |
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 |