Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 20/20 | 0.76 |
| ▸ | SLC6A4 | P31645 | 20/20 | 0.76 |
| ▸ | SLC6A3 | Q01959 | 20/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 19/20 | 0.76 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15423294 | 1.00 | SLC6A2 (0.76) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL15423290 | 0.93 | SLC6A2 (0.66) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL15423298 | 0.88 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL413938 | 0.88 | CYP2D6 (0.79) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL414979 | 0.88 | CYP2D6 (0.79) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL415108 | 0.88 | CYP2D6 (0.79) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL15423275 | 0.86 | CYP2D6 (0.84) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL413560 | 0.86 | CYP2D6 (0.76) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL414874 | 0.86 | CYP2D6 (0.76) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL413573 | 0.86 | CYP2D6 (1.00) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2684871-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2014-01-15 | — | — | EP | disclosed |