Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.70 |
| ▸ | CTSD | P07339 | 3/20 | 0.70 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | UGT1A1 | P22309 | 3/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.41 |
| ▸ | MLNR | O43193 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.41 |
| ▸ | CCKAR | P32238 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 1/20 | 0.41 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.41 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5617731 | 1.00 | CYP3A4 (0.70) | CYP3A4CTSDCA2UGT1A1ABCB11 | |
| SCHEMBL2436859 | 1.00 | CYP3A4 (0.70) | CYP3A4CTSDCA2UGT1A1ABCB11 | |
| SCHEMBL2438334 | 1.00 | CYP3A4 (0.70) | CYP3A4CTSDCA2UGT1A1ABCB11 | |
| SCHEMBL2443107 | 1.00 | CYP3A4 (0.70) | CYP3A4CTSDCA2UGT1A1ABCB11 | |
| SCHEMBL2435611 | 1.00 | CYP3A4 (0.70) | CYP3A4CTSDCA2UGT1A1ABCB11 | |
| SCHEMBL2438359 | 1.00 | CYP3A4 (0.70) | CYP3A4CTSDCA2UGT1A1ABCB11 | |
| SCHEMBL2440726 | 1.00 | CYP3A4 (0.70) | CYP3A4CTSDCA2UGT1A1ABCB11 | |
| SCHEMBL2438329 | 1.00 | CYP3A4 (0.70) | CYP3A4CTSDCA2UGT1A1ABCB11 | |
| SCHEMBL3102730 | 1.00 | CYP3A4 (0.70) | CYP3A4CTSDCA2UGT1A1ABCB11 | |
| SCHEMBL2437643 | 1.00 | CYP3A4 (0.70) | CYP3A4CTSDCA2UGT1A1ABCB11 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2007516260-A | — | — | 2007-06-21 | — | — | JP | claimed |
| EP-1697344-A2 | HIV PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 2006-09-06 | — | — | EP | claimed |
| WO-2005058841-A2 | HIV PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 2005-06-30 | — | — | WO | claimed |