Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 15/20 | 0.55 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155682 | 0.84 | BRD4 (0.59) | BRD4SLC6A9PTGS1PTGS2 | |
| SCHEMBL16650725 | 0.82 | BRD4 (0.55) | BRD4SLC6A9PTGS1PTGS2 | |
| SCHEMBL26414908 | 0.80 | BRD4 (0.53) | BRD4SLC6A9 | |
| SCHEMBL2824930 | 0.79 | SLC6A9 (0.59) | BRD4SLC6A9 | |
| SCHEMBL16654251 | 0.77 | BRD4 (0.54) | BRD4 | |
| SCHEMBL16650526 | 0.77 | BRD4 (0.78) | BRD4 | |
| SCHEMBL16650374 | 0.75 | DHFR (0.45) | BRD4 | |
| SCHEMBL13589518 | 0.74 | PTGS2 (0.53) | BRD4PTGS1PTGS2 | |
| SCHEMBL13734103 | 0.74 | BRD4 (0.55) | BRD4SLC6A9 | |
| SCHEMBL1813202 | 0.74 | SLC6A9 (0.54) | BRD4SLC6A9 |
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 |