Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.55 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.52 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.51 |
| ▸ | CTSS | P25774 | 3/20 | 0.50 |
| ▸ | CTSB | P07858 | 3/20 | 0.50 |
| ▸ | CTSL | P07711 | 2/20 | 0.50 |
| ▸ | CTSK | P43235 | 2/20 | 0.50 |
| ▸ | ACE | P12821 | 1/20 | 0.48 |
| ▸ | REN | P00797 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21875889 | 1.00 | KLK5 (0.55) | KLK5NLRP3CYP3A4SCN9ACTSS | |
| SCHEMBL12290542 | 1.00 | KLK5 (0.55) | KLK5NLRP3CYP3A4SCN9ACTSS | |
| SCHEMBL2367394 | 1.00 | KLK5 (0.55) | KLK5NLRP3CYP3A4SCN9ACTSS | |
| SCHEMBL29588090 | 0.94 | CYP3A4 (0.52) | KLK5NLRP3CYP3A4SCN9ACTSS | |
| SCHEMBL8125933 | 0.94 | CYP3A4 (0.52) | KLK5NLRP3CYP3A4SCN9ACTSS | |
| SCHEMBL3820580 | 0.92 | KLK5 (0.48) | KLK5NLRP3CYP3A4SCN9ACTSS | |
| SCHEMBL2367071 | 0.91 | KLK5 (0.48) | KLK5NLRP3CYP3A4SCN9ACTSS | |
| SCHEMBL27683505 | 0.91 | KLK5 (0.48) | KLK5NLRP3CYP3A4SCN9ACTSS | |
| SCHEMBL13323781 | 0.91 | KLK5 (0.48) | KLK5NLRP3CYP3A4SCN9ACTSS | |
| SCHEMBL479037 | 0.89 | ACE (0.61) | CYP3A4SCN9ACTSSCTSBCTSL |
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 |
|---|---|---|---|---|---|---|---|
| CN-116496255-A | NLRP3 inhibitors | 杭州邦顺制药有限公司 | 2023-07-28 | — | — | CN | disclosed |