Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 20/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 19/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 12/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3246125 | 1.00 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL28030214 | 0.81 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL9515253 | 0.81 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL14177486 | 0.79 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL2781598 | 0.79 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL2781599 | 0.79 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL14177296 | 0.78 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL15751949 | 0.77 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14316691 | 0.75 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL14316690 | 0.75 | SLC6A2 (0.55) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2294063-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-03-16 | — | — | EP | disclosed |
| WO-2009150110-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-17 | — | — | WO | disclosed |