Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 20/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 20/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4764953 | 0.90 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL6595138 | 0.72 | SLC6A4 (0.32) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL6590849 | 0.71 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL4767101 | 0.67 | CTSD (0.37) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL4765027 | 0.66 | CTSD (0.45) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL4830403 | 0.66 | HTR4 (0.35) | — | |
| SCHEMBL19358932 | 0.64 | GBA1 (0.45) | SLC6A4 | |
| SCHEMBL6590690 | 0.63 | CXCR4 (0.32) | SLC6A2SLC6A4 | |
| SCHEMBL6589907 | 0.62 | — | — | |
| SCHEMBL6587495 | 0.61 | TRPM8 (0.35) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 |
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-1320370-A4 | METHOD OF TREATMENT | SMITHKLINE BEECHAM CORP (US) | 2008-10-22 | — | — | EP | disclosed |
| EP-1320370-A1 | METHOD OF TREATMENT | SmithKline Beecham Corporation (US) | 2003-06-25 | — | — | EP | disclosed |
| WO-2002017924-A1 | METHOD OF TREATMENT | SMITHKLINE BEECHAM CORPORATION (GB) | 2002-03-07 | — | — | WO | disclosed |