Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 9/20 | 0.46 |
| ▸ | RCOR1 | Q9UKL0 | 5/20 | 0.46 |
| ▸ | MAOA | P21397 | 6/20 | 0.34 |
| ▸ | MAOB | P27338 | 6/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 2/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | CTSE | P14091 | 1/20 | 0.33 |
| ▸ | PGC | P20142 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 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 | |
|---|---|---|---|---|
| SCHEMBL3710752 | 0.88 | KDM1A (0.44) | KDM1ARCOR1MAOAMAOBSLC6A3 | |
| SCHEMBL3713306 | 0.88 | KDM1A (0.44) | KDM1ARCOR1MAOAMAOBSLC6A3 | |
| SCHEMBL3644402 | 0.88 | KDM1A (0.46) | KDM1ARCOR1MAOAMAOB | |
| SCHEMBL1438765 | 0.85 | KDM1A (0.33) | KDM1ARCOR1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL1507478 | 0.84 | SLC6A2 (0.37) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL2780933 | 0.84 | KDM1A (0.49) | KDM1ARCOR1MAOAMAOBSLC6A3 | |
| SCHEMBL2225021 | 0.84 | KDM1A (0.52) | KDM1ARCOR1MAOAMAOBSLC6A3 | |
| SCHEMBL1421527 | 0.84 | KDM1A (0.52) | KDM1ARCOR1MAOAMAOBSLC6A3 | |
| SCHEMBL1439673 | 0.81 | KDM1A (0.47) | KDM1ARCOR1MAOAMAOBSLC6A3 | |
| SCHEMBL11865200 | 0.77 | KDM1A (0.40) | KDM1ARCOR1SLC6A3SLC6A2SLC6A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2470524-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-07-04 | — | — | EP | disclosed |
| EP-2294063-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-03-16 | — | — | EP | disclosed |
| WO-2011023626-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-03 | — | — | WO | 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 |