Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 8/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.34 |
| ▸ | CCKAR | P32238 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | GHSR | Q92847 | 1/20 | 0.34 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 4/20 | 0.32 |
| ▸ | CTSE | P14091 | 1/20 | 0.31 |
| ▸ | PGC | P20142 | 1/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5719609 | 0.93 | CTSD (0.38) | CTSDCYP3A4MLNRNR1I2SLCO2B1 | |
| SCHEMBL5719916 | 0.91 | CTSD (0.46) | CTSDCYP3A4MLNRNR1I2SLCO2B1 | |
| SCHEMBL5719675 | 0.91 | CTSD (0.36) | CTSDCYP3A4BACE1CTSEPGC | |
| SCHEMBL5719697 | 0.90 | CTSD (0.38) | CTSDCYP3A4MLNRNR1I2SLCO2B1 | |
| SCHEMBL3551999 | 0.89 | CTSD (0.38) | CTSDCYP3A4MLNRNR1I2SLCO2B1 | |
| SCHEMBL3553142 | 0.89 | CTSD (0.38) | CTSDCYP3A4MLNRNR1I2SLCO2B1 | |
| SCHEMBL5719694 | 0.89 | CTSD (0.37) | CTSDCYP3A4MLNRNR1I2SLCO2B1 | |
| SCHEMBL5720075 | 0.89 | CTSD (0.38) | CTSDCYP3A4MLNRNR1I2SLCO2B1 | |
| SCHEMBL5719977 | 0.88 | CTSD (0.36) | CTSDCYP3A4MLNRNR1I2SLCO2B1 | |
| SCHEMBL5719946 | 0.88 | CTSD (0.38) | CTSDCYP3A4MLNRNR1I2SLCO2B1 |
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-1697348-A1 | HIV PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005061487-A1 | HIV PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 2005-07-07 | — | — | WO | disclosed |