Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 20/20 | 0.55 |
| ▸ | EP300 | Q09472 | 2/20 | 0.51 |
| ▸ | BRD2 | P25440 | 1/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | TSPO | P30536 | 1/20 | 0.51 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.51 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL20160239 | 0.84 | BRD4 (0.57) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL15541374 | 0.80 | BRD4 (0.73) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL29848793 | 0.80 | BRD4 (0.73) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL20159904 | 0.78 | MAPK14 (0.41) | BRD4BRD2ADORA2BBRD3BRDT | |
| SCHEMBL15558963 | 0.78 | BRD4 (0.61) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL29848720 | 0.78 | BRD4 (0.64) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL28720367 | 0.78 | BRD4 (0.65) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL29548942 | 0.78 | BRD4 (0.65) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL18648998 | 0.77 | BRD4 (0.61) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL20160006 | 0.76 | 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 |