Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | FAAH | O00519 | 9/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7333266 | 1.00 | CYP2C19 (0.58) | CYP2C19CYP3A4CYP2D6CYP2C9FAAH | |
| SCHEMBL7335199 | 1.00 | CYP2C19 (0.58) | CYP2C19CYP3A4CYP2D6CYP2C9FAAH | |
| SCHEMBL7338355 | 0.90 | CA2 (0.52) | CYP2C19CYP3A4CYP2D6CYP2C9KDM4E | |
| SCHEMBL7301749 | 0.88 | POLB (0.58) | CYP2C19CYP3A4CYP2D6CYP2C9KDM4E | |
| SCHEMBL7333759 | 0.88 | POLB (0.58) | CYP2C19CYP3A4CYP2D6CYP2C9KDM4E | |
| SCHEMBL7333752 | 0.88 | POLB (0.58) | CYP2C19CYP3A4CYP2D6CYP2C9KDM4E | |
| SCHEMBL7342675 | 0.84 | CYP3A4 (0.61) | CYP2C19CYP3A4CYP2D6CYP2C9FAAH | |
| SCHEMBL7342680 | 0.84 | CYP3A4 (0.61) | CYP2C19CYP3A4CYP2D6CYP2C9FAAH | |
| SCHEMBL7343714 | 0.82 | CTSD (0.61) | CA2MEN1KMT2ACTSSCTSD | |
| SCHEMBL7336891 | 0.81 | KLK5 (0.52) | KMT2ACTSD |
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 8 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-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-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 |