Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPAS1 | Q99814 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 11/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155378 | 0.82 | TRPA1 (0.35) | TRPA1HSPB1BRD4 | |
| SCHEMBL25182848 | 0.80 | EPAS1 (0.51) | EPAS1TRPA1PKMHSPB1MAPK1 | |
| SCHEMBL30444104 | 0.80 | EPAS1 (0.51) | EPAS1TRPA1PKMHSPB1MAPK1 | |
| SCHEMBL20155675 | 0.77 | CYP1A2 (0.35) | — | |
| SCHEMBL20384525 | 0.75 | EPAS1 (0.46) | EPAS1TRPA1PKMHSPB1MAPK1 | |
| SCHEMBL20160276 | 0.74 | EPAS1 (0.45) | EPAS1TRPA1PKMHSPB1BRD4 | |
| SCHEMBL20384507 | 0.73 | EPAS1 (0.47) | EPAS1TRPA1PKMHSPB1MAPK1 | |
| SCHEMBL20443385 | 0.73 | EPAS1 (0.47) | EPAS1TRPA1HSPB1MAPK1TSHR | |
| SCHEMBL20384414 | 0.72 | EPAS1 (0.55) | EPAS1TRPA1HSPB1MAPK1ALDH1A1 | |
| SCHEMBL15068022 | 0.72 | EPAS1 (0.46) | EPAS1TRPA1PKMHSPB1MAPK1 |
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 |