Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7301243 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL2736273 | 0.87 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7301480 | 0.87 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7179423 | 0.86 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL2736207 | 0.86 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL18531996 | 0.86 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7091733 | 0.85 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7178760 | 0.84 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7183478 | 0.84 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7180371 | 0.83 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0486948-B1 | Retroviral protease inhibiting compounds | ABBOTT LAB (US) | 2000-10-04 | — | — | EP | disclosed |
| 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-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 |
| EP-0486948-A2 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1992-05-27 | — | — | EP | disclosed |