Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 7/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.38 |
| ▸ | CARM1 | Q86X55 | 2/20 | 0.38 |
| ▸ | PRMT6 | Q96LA8 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 3/20 | 0.38 |
| ▸ | EP300 | Q09472 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155320 | 0.84 | BRD4 (0.43) | SLC6A4TRPA1EPAS1HSPB1CARM1 | |
| SCHEMBL15067971 | 0.83 | EPAS1 (0.52) | TRPA1EPAS1HSPB1CARM1PRMT6 | |
| SCHEMBL30444289 | 0.83 | EPAS1 (0.52) | TRPA1EPAS1HSPB1CARM1PRMT6 | |
| SCHEMBL20160295 | 0.79 | EPAS1 (0.44) | SLC6A4TRPA1EPAS1HSPB1 | |
| SCHEMBL20160312 | 0.79 | BRD4 (0.58) | EPAS1BRD4EP300 | |
| SCHEMBL20160228 | 0.76 | BRD4 (0.49) | SLC6A4TRPA1HSPB1BRD4SLC6A2 | |
| SCHEMBL4439280 | 0.75 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL10456772 | 0.75 | TRPA1 (0.56) | TRPA1EPAS1HSPB1 | |
| SCHEMBL9560643 | 0.75 | HSPB1 (0.43) | SLC6A4TRPA1HSPB1SLC6A2SLC6A3 | |
| SCHEMBL20155430 | 0.74 | TRPA1 (0.45) | SLC6A4TRPA1EPAS1HSPB1BRD4 |
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 2 patents. 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 |
| 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 |