Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 6/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12125671 | 0.91 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4TSHRCYP3A4 | |
| SCHEMBL1753813 | 0.84 | SLC6A3 (0.52) | SLC6A3SLC6A2SLC6A4TSHRCYP3A4 | |
| SCHEMBL29543279 | 0.84 | SLC6A3 (0.52) | SLC6A3SLC6A2SLC6A4TSHRCYP3A4 | |
| SCHEMBL14768852 | 0.84 | SLC6A3 (0.52) | SLC6A3SLC6A2SLC6A4TSHRCYP3A4 | |
| SCHEMBL18513573 | 0.84 | SLC6A3 (0.52) | SLC6A3SLC6A2SLC6A4TSHRCYP3A4 | |
| SCHEMBL7355983 | 0.83 | CYP3A4 (0.50) | SLC6A3SLC6A2SLC6A4TSHRCYP3A4 | |
| SCHEMBL18513572 | 0.83 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4TSHRCYP3A4 | |
| SCHEMBL13140945 | 0.83 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4TSHRCYP3A4 | |
| SCHEMBL7366925 | 0.83 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4TSHRCYP3A4 | |
| SCHEMBL5014425 | 0.83 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4TSHRCYP3A4 |
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-0977743-A1 | PROTEASE INHIBITORS | Smithkline Beecham (US) | 2000-02-09 | — | — | EP | disclosed |
| WO-1998049152-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-11-05 | — | — | WO | disclosed |