Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21191022 | 0.88 | BRD4 (0.50) | HRH3BRD4PDE4BPDE4APDE4C | |
| SCHEMBL1439332 | 0.83 | HSP90AA1 (0.47) | HRH3PDE4BHSP90AA1POLB | |
| SCHEMBL16658440 | 0.83 | MAPT (0.43) | — | |
| SCHEMBL3722109 | 0.78 | IKBKE (0.41) | HRH3PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL3718807 | 0.78 | HTR2C (0.40) | HRH3PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL15067678 | 0.78 | BRD4 (0.49) | BRD4POLB | |
| SCHEMBL12891258 | 0.77 | HRH3 (0.39) | HRH3PDE4BHSP90AA1PDE4APDE4C | |
| SCHEMBL16651167 | 0.77 | BRD4 (0.50) | BRD4HSP90AA1POLBTHRB | |
| SCHEMBL16650725 | 0.76 | BRD4 (0.55) | BRD4 | |
| SCHEMBL21191023 | 0.76 | HRH3 (0.39) | HRH3PDE4BHSP90AA1PDE4APDE4C |
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 |