Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.49 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.49 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.49 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.49 |
| ▸ | MLNR | O43193 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8124337 | 1.00 | CYP3A4 (0.52) | CYP3A4CA2CYP2D6CYP2C19MEN1 | |
| SCHEMBL7329941 | 0.97 | CYP3A4 (0.53) | CYP3A4CA2CYP2D6CYP2C19MEN1 | |
| SCHEMBL7329960 | 0.97 | CYP3A4 (0.53) | CYP3A4CA2CYP2D6CYP2C19MEN1 | |
| SCHEMBL7309306 | 0.92 | CYP3A4 (0.51) | CYP3A4CA2CYP2D6CYP2C19MEN1 | |
| SCHEMBL7302611 | 0.91 | CYP3A4 (0.64) | CYP3A4CA2CYP2D6CYP2C19MEN1 | |
| SCHEMBL7312307 | 0.91 | CYP3A4 (0.58) | CYP3A4CA2CYP2D6CYP2C19MEN1 | |
| SCHEMBL13240259 | 0.90 | CA2 (0.62) | CYP3A4CA2CYP2D6CYP2C19MEN1 | |
| SCHEMBL2771252 | 0.90 | CA2 (0.62) | CYP3A4CA2CYP2D6CYP2C19MEN1 | |
| SCHEMBL7307494 | 0.89 | CYP3A4 (0.51) | CYP3A4CA2CYP2D6CYP2C19MEN1 | |
| SCHEMBL7298935 | 0.88 | CYP3A4 (0.56) | CYP3A4CA2CYP2D6CYP2C19MEN1 |
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 2 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 |