Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14528311 | 0.85 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL5162039 | 0.85 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL14607873 | 0.85 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL29989732 | 0.83 | IDO1 (0.46) | — | |
| SCHEMBL23579527 | 0.83 | IDO1 (0.46) | — | |
| SCHEMBL3616019 | 0.83 | SLC6A4 (0.48) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL1862768 | 0.83 | SLC6A4 (0.48) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL1862764 | 0.83 | SLC6A4 (0.48) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL1862766 | 0.83 | SLC6A4 (0.48) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL4971317 | 0.83 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6 |
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-1966139-B1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2011-12-21 | — | — | EP | disclosed |
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |