Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 16/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 15/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.41 |
| ▸ | UTS2R | Q9UKP6 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7143857 | 0.82 | SLC6A2 (0.43) | SLC6A4SLC6A2KCNH2SLC6A3UTS2R | |
| SCHEMBL6985336 | 0.82 | UTS2R (0.43) | SLC6A4SLC6A2KCNH2SLC6A3UTS2R | |
| SCHEMBL7143855 | 0.80 | SLC6A2 (0.40) | SLC6A4SLC6A2KCNH2SLC6A3UTS2R | |
| SCHEMBL6979203 | 0.79 | SLC6A2 (0.43) | SLC6A4SLC6A2KCNH2SLC6A3UTS2R | |
| SCHEMBL6979200 | 0.78 | UTS2R (0.43) | SLC6A4SLC6A2KCNH2SLC6A3UTS2R | |
| SCHEMBL7140946 | 0.77 | SLC6A2 (0.40) | SLC6A4SLC6A2KCNH2SLC6A3UTS2R | |
| SCHEMBL6984733 | 0.72 | UTS2R (0.46) | SLC6A4SLC6A2SLC6A3UTS2RCYP2D6 | |
| SCHEMBL6597273 | 0.71 | UTS2R (0.68) | UTS2RCYP2D6 | |
| SCHEMBL6984730 | 0.71 | UTS2R (0.44) | UTS2RCYP2D6 | |
| SCHEMBL6597841 | 0.70 | UTS2R (0.65) | UTS2RCYP2D6 |
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-1246619-B1 | UROTENSIN-II RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2004-10-20 | — | — | EP | disclosed |
| US-6514970-B1 | Pyrrolidines such as benzo(b)thiophene-2-carboxylic acid ((S)-1-((S)-1-(4-(1-benzyl-piperidin-4-yloxy)-3-chloro-benzyl)-pyrrolidin-3 -ylcarbamoyl)-3- methyl-butyl)-amide | SMITHKLINE BEECHAM CORPORATION | 2003-02-04 | — | — | US | disclosed |