Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.52 |
| ▸ | RARG | P13631 | 1/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.52 |
| ▸ | PPARA | Q07869 | 1/20 | 0.52 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.52 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | MME | P08473 | 2/20 | 0.49 |
| ▸ | ACE | P12821 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL14113245 | 0.85 | MME (0.58) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4917015 | 0.85 | MME (0.58) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14788490 | 0.80 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL4804596 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17563423 | 0.80 | ALDH1A1 (0.55) | CYP3A4ALDH1A1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL21560929 | 0.80 | ALDH1A1 (0.55) | CYP3A4ALDH1A1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL31153737 | 0.80 | ALDH1A1 (0.55) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL7293157 | 0.79 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14777737 | 0.78 | ALDH1A1 (0.53) | CYP3A4ALDH1A1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL6161498 | 0.78 | ALDH1A1 (0.53) | CYP3A4ALDH1A1MAPK1L3MBTL1SLC6A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839798-A2 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LABORATORIES (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5670675-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-09-23 | — | — | US | disclosed |
| US-5545750-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS | ABBOTT LABORATORIES (US) | 1996-08-13 | — | — | US | disclosed |
| US-5142056-A | Human immunodeficiency virus protease inhibitor | ABBOTT LABORATORIES (US) | 1992-08-25 | — | — | US | disclosed |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |