Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 15/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAT2A | P31153 | 2/20 | 0.35 |
| ▸ | BRD2 | P25440 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | TSPO | P30536 | 1/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.34 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.34 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155184 | 0.92 | BRD4 (0.40) | BRD4NPC1RAB9AMAT2ABRDT | |
| SCHEMBL20155113 | 0.90 | BRD4 (0.48) | BRD4BRD2 | |
| SCHEMBL20155593 | 0.89 | BRD4 (0.47) | BRD4BRD2ADORA2BTSPOEP300 | |
| SCHEMBL20155625 | 0.87 | BRD4 (0.46) | BRD4BRD2ADORA2BTSPOEP300 | |
| SCHEMBL20155116 | 0.85 | BRD4 (0.45) | BRD4NPC1RAB9AMAT2AMAPK14 | |
| SCHEMBL20155756 | 0.83 | BRD4 (0.41) | BRD4 | |
| SCHEMBL20155103 | 0.81 | BRD4 (0.42) | BRD4MAPK14 | |
| SCHEMBL20155169 | 0.80 | BRD4 (0.46) | BRD4MAT2ABRD2ADORA2BTSPO | |
| SCHEMBL20155168 | 0.79 | BRD4 (0.40) | BRD4MAPK14 | |
| SCHEMBL20155171 | 0.78 | BRD4 (0.43) | BRD4MAT2ABRD2BRD3 |
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-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 |