Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 8/20 | 0.47 |
| ▸ | RCOR1 | Q9UKL0 | 4/20 | 0.47 |
| ▸ | RORC | P51449 | 3/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 6/20 | 0.35 |
| ▸ | MAOB | P27338 | 6/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2017140 | 0.88 | KDM1A (0.50) | KDM1ARCOR1RORCNR1I2MAOA | |
| SCHEMBL1439673 | 0.88 | KDM1A (0.47) | KDM1ARCOR1MAOAMAOBSLC6A2 | |
| SCHEMBL1439365 | 0.87 | HTT (0.37) | KDM1ARCOR1RORCNR1I2MAOA | |
| SCHEMBL2228338 | 0.85 | KDM1A (0.52) | KDM1ARCOR1RORCNR1I2MAOA | |
| SCHEMBL2352598 | 0.85 | KDM1A (0.52) | KDM1ARCOR1RORCNR1I2MAOA | |
| SCHEMBL1507366 | 0.84 | SLC6A2 (0.37) | KDM1ARCOR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3643149 | 0.84 | SLC6A2 (0.39) | KDM1ARCOR1RORCNR1I2SLC6A2 | |
| SCHEMBL3644402 | 0.81 | KDM1A (0.46) | KDM1ARCOR1RORCNR1I2MAOA | |
| SCHEMBL11865318 | 0.80 | KDM1A (0.44) | KDM1ARCOR1RORCNR1I2MAOA | |
| Hydrochloric Acid SCHEMBL11860269 | 0.79 | KDM1A (0.45) | KDM1ARCOR1RORCNR1I2MAOA |
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-2185540-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009019163-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | WO | disclosed |