Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.43 |
| ▸ | CTSV | O60911 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSH | P09668 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29179611 | 1.00 | CASP3 (0.43) | CASP3CTSVCTSLCTSBCTSH | |
| SCHEMBL24710326 | 1.00 | CASP3 (0.43) | CASP3CTSVCTSLCTSBCTSH | |
| SCHEMBL29179664 | 0.93 | CTSL (0.47) | CTSLCTSB | |
| SCHEMBL29179666 | 0.93 | CTSL (0.47) | CTSLCTSB | |
| SCHEMBL24938998 | 0.93 | CTSL (0.47) | CTSLCTSB | |
| SCHEMBL24939043 | 0.88 | CASP3 (0.41) | CASP3CTSLCTSB | |
| SCHEMBL30133380 | 0.88 | CASP3 (0.41) | CASP3CTSLCTSB | |
| SCHEMBL29976780 | 0.84 | AAK1 (0.40) | — | |
| SCHEMBL29977221 | 0.84 | AAK1 (0.40) | — | |
| SCHEMBL30133381 | 0.84 | CASP3 (0.47) | CASP3CTSVCTSLCTSBCTSH |
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 |
|---|---|---|---|---|---|---|---|
| CN-117794896-A | Protease inhibitors for the treatment of coronavirus infections | 斯克里普斯研究学院 | 2024-03-29 | — | — | CN | disclosed |
| WO-2022261473-A1 | PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2022-12-15 | — | — | WO | disclosed |