Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 2/20 | 0.53 |
| ▸ | CTSS | P25774 | 2/20 | 0.53 |
| ▸ | CTSL | P07711 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 1/20 | 0.53 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.52 |
| ▸ | SYK | P43405 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 2/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 2/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
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 SCHEMBL7364225 | 0.88 | CTSS (0.55) | CTSBCTSSCTSLCTSKKLK5 | |
| Acetone SCHEMBL7364742 | 0.87 | CTSS (0.54) | CTSBCTSSCTSLCTSKKLK5 | |
| SCHEMBL6931617 | 0.86 | KLK5 (0.59) | CTSBCTSSCTSLCTSKKLK5 | |
| Acetone SCHEMBL7402591 | 0.85 | CTSS (0.52) | CTSSCTSKKLK5SYKTRPM8 | |
| Acetone SCHEMBL7366337 | 0.85 | CTSS (0.52) | CTSSCTSKKLK5SYKTRPM8 | |
| SCHEMBL7270592 | 0.82 | KLK5 (0.63) | CTSBCTSSCTSLCTSKKLK5 | |
| SCHEMBL9848360 | 0.82 | KLK5 (0.63) | CTSBCTSSCTSLCTSKKLK5 | |
| SCHEMBL8364975 | 0.81 | KLK5 (0.55) | CTSBCTSSCTSLCTSKKLK5 | |
| SCHEMBL7270640 | 0.81 | KLK5 (0.60) | CTSBCTSSCTSLCTSKKLK5 | |
| Acetone SCHEMBL7339838 | 0.80 | REN (0.59) | CTSBCTSSCTSLCTSK |
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 6 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-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-5554783-A | (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE | ABBOTT LABORATORIES (US) | 1996-09-10 | — | — | 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 |