Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 3/20 | 0.70 |
| ▸ | CTSS | P25774 | 7/20 | 0.65 |
| ▸ | CTSK | P43235 | 6/20 | 0.65 |
| ▸ | CTSB | P07858 | 2/20 | 0.65 |
| ▸ | CTSL | P07711 | 1/20 | 0.65 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | AKT1 | P31749 | 1/20 | 0.57 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.55 |
| ▸ | REN | P00797 | 1/20 | 0.54 |
| ▸ | PPARA | Q07869 | 2/20 | 0.54 |
| ▸ | PPARG | P37231 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL17688687 | 0.89 | ACE (0.70) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL10536264 | 0.89 | ACE (0.70) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL2603668 | 0.89 | ACE (0.70) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL27839027 | 0.89 | ACE (0.56) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL6332454 | 0.88 | ACE (0.68) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL638877 | 0.88 | ACE (0.68) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL495795 | 0.88 | ACE (0.68) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL21800418 | 0.88 | ACE (0.68) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL495794 | 0.88 | ACE (0.68) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL30193083 | 0.88 | ACE (0.68) | ACECTSSCTSKCTSBCTSL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873519-A4 | HIV PROTEASE INHIBITORS | SCRIPPS RESEARCH INST (US) | 2005-04-27 | — | — | EP | disclosed |
| EP-0873519-A1 | HIV PROTEASE INHIBITORS | The Scripps Research Institute (US) | 1998-10-28 | — | — | EP | disclosed |
| WO-1997021100-A9 | HIV PROTEASE INHIBITORS | — | 1997-10-30 | — | — | WO | disclosed |
| WO-1997021100-A1 | HIV PROTEASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1997-06-12 | — | — | WO | disclosed |