Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 5/20 | 0.45 |
| ▸ | PREP | P48147 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ASAH1 | Q13510 | 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 | |
|---|---|---|---|---|
| SCHEMBL3749572 | 0.85 | NAAA (0.46) | NAAAPREPCASP3ALDH1A1GAA | |
| SCHEMBL3743743 | 0.83 | CPB1 (0.49) | NAAAPREPCASP3ALDH1A1GAA | |
| SCHEMBL3743745 | 0.83 | CPB1 (0.49) | NAAAPREPCASP3ALDH1A1GAA | |
| SCHEMBL4417131 | 0.78 | CASP3 (0.53) | PREPCASP3ALDH1A1GAA | |
| SCHEMBL14313605 | 0.77 | CASP3 (0.50) | NAAAPREPCASP3ALDH1A1GAA | |
| SCHEMBL30889439 | 0.77 | TACR1 (0.46) | — | |
| SCHEMBL28857439 | 0.77 | KDM1A (0.50) | ALDH1A1GAA | |
| SCHEMBL28857438 | 0.77 | KDM1A (0.50) | ALDH1A1GAA | |
| SCHEMBL3250376 | 0.75 | CASP3 (0.47) | NAAAPREPCASP3ALDH1A1GAA | |
| SCHEMBL253913 | 0.75 | ALDH1A1 (0.53) | NAAAPREPCASP3ALDH1A1GAA |
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-2024107778-A1 | NOVEL PROTEASE INHIBITORS FOR TREATMENT OF CORONAVIRUS INFECTIONS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2024-05-23 | — | — | WO | disclosed |