Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 14/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3643149 | 0.91 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL1439365 | 0.90 | HTT (0.37) | SLC6A2SLC6A4SLC6A3CYP2D6KDM1A | |
| SCHEMBL3650756 | 0.84 | KDM1A (0.47) | SLC6A2SLC6A4SLC6A3CYP2D6KDM1A | |
| SCHEMBL1439673 | 0.84 | KDM1A (0.47) | SLC6A2SLC6A4SLC6A3KDM1ARCOR1 | |
| SCHEMBL1507478 | 0.84 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL2784188 | 0.81 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL1507378 | 0.80 | SLC6A4 (0.33) | SLC6A2SLC6A4SLC6A3KDM1ARCOR1 | |
| SCHEMBL3710431 | 0.79 | MEN1 (0.36) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL2228579 | 0.76 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL2228553 | 0.76 | SLC6A2 (0.39) | 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 4 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 |
| EP-2185540-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009150110-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-17 | — | — | WO | disclosed |
| WO-2009019163-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | WO | disclosed |