Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.53 |
| ▸ | CTSK | P43235 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.47 |
| ▸ | ACE | P12821 | 2/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL7366136 | 0.96 | CTSS (0.53) | CTSSCTSKCYP3A4KLK5ACE | |
| Acetone SCHEMBL7359428 | 0.89 | CTSS (0.54) | CTSSCTSKCYP3A4KLK5ACE | |
| Acetone SCHEMBL7371461 | 0.87 | CTSS (0.54) | CTSSCTSKCYP3A4KLK5ACE | |
| Acetone SCHEMBL7366337 | 0.87 | CTSS (0.52) | CTSSCTSKCYP3A4KLK5ATM | |
| Acetone SCHEMBL7402591 | 0.87 | CTSS (0.52) | CTSSCTSKCYP3A4KLK5ATM | |
| SCHEMBL5970330 | 0.83 | CTSS (0.50) | CTSSCTSKCYP3A4KLK5ATM | |
| Acetone SCHEMBL7364742 | 0.83 | CTSS (0.54) | CTSSCTSKKLK5ACEATM | |
| SCHEMBL25075938 | 0.80 | CTSS (0.61) | CTSSCTSKCYP3A4KLK5ATM | |
| SCHEMBL8534875 | 0.79 | KLK5 (0.63) | CTSSCTSKKLK5ACEATM | |
| SCHEMBL9848360 | 0.79 | KLK5 (0.63) | CTSSCTSKKLK5ACEATM |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0997459-A1 | Intermediates for preparing retroviral protease inhibiting compounds | Abbott Laboratories (US) | 2000-05-03 | — | — | EP | disclosed |
| US-5837873-A | PROTECTED OXYDIAMINES | ABBOTT LABORATORIES (US) | 1998-11-17 | — | — | US | disclosed |
| US-5648497-A | Retroviral protease inhibiting compounds | ABBOTT LABORAOTRIES (US) | 1997-07-15 | — | — | US | disclosed |
| US-5616714-A | PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES | ABBOTT LABORATORIES (US) | 1997-04-01 | — | — | US | disclosed |
| US-5541334-A | TREATING HIV | ABBOTT LABORATORIES (US) | 1996-07-30 | — | — | US | disclosed |
| US-5354866-A | Treating HIV infections | ABBOTT LABORATORIES (US) | 1994-10-11 | — | — | US | disclosed |
| EP-0486948-A2 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1992-05-27 | — | — | EP | disclosed |