Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 9/20 | 0.49 |
| ▸ | RCOR1 | Q9UKL0 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 6/20 | 0.36 |
| ▸ | MAOB | P27338 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | REN | P00797 | 2/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | CTSE | P14091 | 1/20 | 0.34 |
| ▸ | PGC | P20142 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11865200 | 0.93 | KDM1A (0.40) | KDM1ARCOR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11865318 | 0.90 | KDM1A (0.44) | KDM1ARCOR1MAOAMAOBALDH1A1 | |
| SCHEMBL1439673 | 0.90 | KDM1A (0.47) | KDM1ARCOR1MEN1KMT2AMAOA | |
| Hydrochloric Acid SCHEMBL11860269 | 0.89 | KDM1A (0.45) | KDM1ARCOR1MAOAMAOBALDH1A1 | |
| SCHEMBL2225021 | 0.87 | KDM1A (0.52) | KDM1ARCOR1MAOAMAOBSLC6A2 | |
| SCHEMBL1421527 | 0.87 | KDM1A (0.52) | KDM1ARCOR1MAOAMAOBSLC6A2 | |
| SCHEMBL2784188 | 0.86 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1439732 | 0.84 | KDM1A (0.46) | KDM1ARCOR1MAOAMAOBSLC6A2 | |
| SCHEMBL3715321 | 0.80 | KDM1A (0.45) | KDM1ARCOR1MEN1KMT2AMAOA | |
| SCHEMBL3712746 | 0.80 | KDM1A (0.45) | KDM1ARCOR1MEN1KMT2AMAOA |
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-2398768-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-12-28 | — | — | EP | disclosed |
| WO-2010094667-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-26 | — | — | WO | disclosed |