Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 7/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | UGT1A1 | P22309 | 3/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.53 |
| ▸ | MLNR | O43193 | 1/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.53 |
| ▸ | CCKAR | P32238 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | GHSR | Q92847 | 1/20 | 0.53 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.53 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.35 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5615455 | 0.93 | CTSD (0.58) | CTSDCYP3A4UGT1A1ABCB11ABCB1 | |
| SCHEMBL2442018 | 0.91 | CTSD (0.62) | CTSDCYP3A4UGT1A1ABCB11ABCB1 | |
| SCHEMBL6010292 | 0.89 | CTSD (0.55) | CTSDCYP3A4UGT1A1ABCB11ABCB1 | |
| SCHEMBL2435666 | 0.89 | CTSD (0.56) | CTSDCYP3A4UGT1A1ABCB11ABCB1 | |
| SCHEMBL2436386 | 0.84 | CTSD (0.53) | CTSDCYP3A4UGT1A1ABCB11ABCB1 | |
| SCHEMBL2434986 | 0.84 | CTSD (0.67) | CTSDCYP3A4UGT1A1ABCB11ABCB1 | |
| SCHEMBL5615274 | 0.83 | CYP3A4 (0.49) | CTSDCYP3A4UGT1A1ABCB11ABCB1 | |
| SCHEMBL6010296 | 0.83 | UGT1A1 (0.44) | CTSDCYP3A4UGT1A1ABCB11ABCB1 | |
| SCHEMBL2436292 | 0.82 | CYP3A4 (0.60) | CTSDCYP3A4UGT1A1ABCB11ABCB1 | |
| SCHEMBL4250080 | 0.82 | CYP3A4 (0.55) | CTSDCYP3A4UGT1A1ABCB11ABCB1 |
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-1697344-A2 | HIV PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058841-A2 | HIV PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 2005-06-30 | — | — | WO | disclosed |