Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 7/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | REN | P00797 | 2/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9996379 | 1.00 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3CYP2D6REN | |
| SCHEMBL3612401 | 1.00 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3CYP2D6REN | |
| SCHEMBL12022698 | 1.00 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3CYP2D6REN | |
| SCHEMBL3612407 | 1.00 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3CYP2D6REN | |
| SCHEMBL9996353 | 0.92 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6REN | |
| SCHEMBL3604509 | 0.92 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6REN | |
| SCHEMBL9996720 | 0.92 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6REN | |
| SCHEMBL9996716 | 0.92 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6REN | |
| SCHEMBL9996524 | 0.90 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6REN | |
| SCHEMBL9996520 | 0.90 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6REN |
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 1 patent. 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 |