Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.52 |
| ▸ | CTSK | P43235 | 1/20 | 0.52 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.48 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 3/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | CTSD | P07339 | 2/20 | 0.44 |
| ▸ | REN | P00797 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
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 SCHEMBL7402591 | 1.00 | CTSS (0.52) | CTSSCTSKKLK5SYKCASP1 | |
| Acetone SCHEMBL7371461 | 0.87 | CTSS (0.54) | CTSSCTSKKLK5CYP3A4ATM | |
| Acetone SCHEMBL7359428 | 0.87 | CTSS (0.54) | CTSSCTSKKLK5CYP3A4CTSD | |
| Acetone SCHEMBL7366136 | 0.87 | CTSS (0.53) | CTSSCTSKKLK5CYP3A4PPARA | |
| Acetone SCHEMBL7363032 | 0.87 | CTSS (0.53) | CTSSCTSKKLK5CYP3A4PPARA | |
| SCHEMBL6931617 | 0.85 | KLK5 (0.59) | CTSSCTSKKLK5SYKTRPM8 | |
| Acetone SCHEMBL7365925 | 0.85 | CTSB (0.53) | CTSSCTSKKLK5SYKCASP1 | |
| SCHEMBL7878235 | 0.81 | CTSS (0.66) | CTSSCTSKCASP1CYP3A4TACR1 | |
| SCHEMBL25075938 | 0.80 | CTSS (0.61) | CTSSCTSKKLK5CYP3A4TACR1 | |
| SCHEMBL9848360 | 0.80 | KLK5 (0.63) | CTSSCTSKKLK5PPARAATM |
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 |
|---|---|---|---|---|---|---|---|
| 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-5597926-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-01-28 | — | — | 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 |