Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 10/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL3605841 | 0.89 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL3605837 | 0.89 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL3605845 | 0.89 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL9996510 | 0.88 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL3617506 | 0.88 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL3602139 | 0.86 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL3602141 | 0.86 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL3609453 | 0.86 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL3602138 | 0.86 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL9996276 | 0.86 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 |
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-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007117560-A2 | PIPERIDINE AND MORPHOLINE RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |