Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 9/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | REN | P00797 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3648728 | 0.95 | SLC6A4 (0.34) | SLC6A4HTR2CHTR2BHTR6HTR1A | |
| SCHEMBL3649427 | 0.94 | HTR1A (0.35) | SLC6A4HTR2CHTR2BHTR6HTR1A | |
| SCHEMBL3646382 | 0.89 | KDM1A (0.37) | SLC6A4HTR2CHTR2BHTR6REN | |
| SCHEMBL3647132 | 0.89 | KDM1A (0.40) | SLC6A4HTR2CHTR2BHTR6REN | |
| SCHEMBL1439498 | 0.85 | KDM1A (0.37) | SLC6A4HTR2CHTR2BHTR6HRH3 | |
| SCHEMBL1439494 | 0.83 | OPRM1 (0.33) | SLC6A4RENKDM1A | |
| SCHEMBL1507366 | 0.80 | SLC6A2 (0.37) | SLC6A4KDM1ARCOR1SLC6A2SLC6A3 | |
| SCHEMBL3712361 | 0.80 | KDM1A (0.38) | SLC6A4HTR2CHTR2BHTR6REN | |
| SCHEMBL1507478 | 0.75 | SLC6A2 (0.37) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL3643149 | 0.74 | SLC6A2 (0.39) | SLC6A4KDM1ARCOR1SLC6A2SLC6A3 |
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 |