Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 12/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7430902 | 0.73 | ALDH1A1 (0.38) | SLC6A2SLC6A4SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL4767101 | 0.71 | CTSD (0.37) | SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL6770905 | 0.70 | GHSR (0.38) | SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL6588875 | 0.67 | CTSK (0.39) | — | |
| SCHEMBL4936544 | 0.67 | GHSR (0.37) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4766714 | 0.67 | GHSR (0.37) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7570056 | 0.67 | OPRM1 (0.47) | SLC6A2SLC6A4SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL7562358 | 0.67 | ACKR3 (0.45) | SLC6A2SLC6A4SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL7538627 | 0.66 | ALDH1A1 (0.39) | SMN1; SMN2STAT3ALDH1A1LMNAGAA | |
| SCHEMBL7564716 | 0.66 | PSEN1 (0.34) | SLC6A2SLC6A4KCNH2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1307204-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2004-06-02 | — | — | EP | disclosed |
| EP-1307204-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2003-05-07 | — | — | EP | disclosed |
| WO-2001095911-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-12-20 | — | — | WO | disclosed |