Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 3/20 | 0.64 |
| ▸ | CTSS | P25774 | 5/20 | 0.60 |
| ▸ | CTSK | P43235 | 4/20 | 0.60 |
| ▸ | CTSB | P07858 | 2/20 | 0.60 |
| ▸ | CTSL | P07711 | 2/20 | 0.60 |
| ▸ | AKT1 | P31749 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CTSG | P08311 | 1/20 | 0.51 |
| ▸ | CMA1 | P23946 | 1/20 | 0.51 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.51 |
| ▸ | REN | P00797 | 1/20 | 0.51 |
| ▸ | PPARA | Q07869 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL495794 | 0.96 | ACE (0.68) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL495795 | 0.96 | ACE (0.68) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL638877 | 0.96 | ACE (0.68) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL10785621 | 0.91 | ACE (0.69) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL7450821 | 0.90 | ACE (0.61) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL13537626 | 0.86 | BCL2 (0.62) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL9754444 | 0.85 | REN (0.57) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL13086723 | 0.85 | ACE (0.55) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL6516027 | 0.84 | ACE (0.70) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL17688687 | 0.84 | ACE (0.70) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9216990-B2 | Crystalline Darunavir | MYLAN LABS LIMITED (IN) | 2015-12-22 | — | — | US | disclosed |