Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 2/20 | 0.32 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.32 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL443843 | 0.91 | SLC6A4 (0.43) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL447195 | 0.85 | SLC6A4 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL442723 | 0.85 | CYP2D6 (0.33) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL444092 | 0.82 | SLC6A4 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL442092 | 0.79 | SLC6A4 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL442350 | 0.79 | CYP2D6 (0.36) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL441688 | 0.79 | SLC6A2 (0.44) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL443409 | 0.79 | SLC6A4 (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL443310 | 0.78 | CYP2D6 (0.50) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL15423327 | 0.78 | GRIN2B (0.35) | CYP2D6SLC6A2SLC6A4SLC6A3CNR2 |
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-2684871-B1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE (CH) | 2016-05-04 | — | — | EP | disclosed |
| EP-2684871-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2014-01-15 | — | — | EP | disclosed |