Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 18/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL1438765 | 0.90 | KDM1A (0.33) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1439732 | 0.84 | KDM1A (0.46) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3644402 | 0.84 | KDM1A (0.46) | — | |
| SCHEMBL1507366 | 0.84 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL3708877 | 0.80 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL1507378 | 0.75 | SLC6A4 (0.33) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3643149 | 0.75 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL2228579 | 0.75 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL2228553 | 0.75 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL2225309 | 0.75 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3KCNH2 |
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 |