Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 7/20 | 0.35 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.33 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20154947 | 0.82 | EPAS1 (0.45) | TRPA1HSPB1BRD4 | |
| SCHEMBL28505143 | 0.73 | ENPP2 (0.48) | TRPA1HSPB1 | |
| SCHEMBL20155313 | 0.73 | MEP1B (0.43) | BRD4 | |
| SCHEMBL16651491 | 0.72 | BRD4 (0.55) | BRD4 | |
| SCHEMBL15068027 | 0.70 | SCN8A (0.46) | TRPA1BRD4 | |
| SCHEMBL10456772 | 0.67 | TRPA1 (0.56) | TRPA1HSPB1 | |
| SCHEMBL29952296 | 0.64 | L3MBTL1 (0.42) | — | |
| SCHEMBL1440694 | 0.64 | L3MBTL1 (0.42) | — | |
| SCHEMBL39406 | 0.64 | CES2 (0.43) | — | |
| SCHEMBL29395656 | 0.64 | CES2 (0.43) | — |
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 |