Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 4/20 | 0.37 |
| ▸ | RCOR1 | Q9UKL0 | 4/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | HTR2B | P41595 | 3/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3646382 | 0.94 | KDM1A (0.37) | KDM1ARCOR1TACR3SLC6A4HTR2C | |
| SCHEMBL3647132 | 0.92 | KDM1A (0.40) | KDM1ARCOR1TACR3SLC6A4HTR2C | |
| SCHEMBL3648728 | 0.87 | SLC6A4 (0.34) | KDM1ARCOR1SLC6A4HTR2CHTR2B | |
| SCHEMBL3649427 | 0.86 | HTR1A (0.35) | KDM1ARCOR1SLC6A4HTR2CHTR2B | |
| SCHEMBL1507378 | 0.85 | SLC6A4 (0.33) | KDM1ARCOR1SLC6A4HTR2CHTR2B | |
| SCHEMBL3712361 | 0.83 | KDM1A (0.38) | KDM1ARCOR1TACR3SLC6A4HTR2C | |
| SCHEMBL3714153 | 0.79 | CNR1 (0.41) | KDM1ARCOR1TACR3SLC6A4REN | |
| SCHEMBL1439673 | 0.76 | KDM1A (0.47) | KDM1ARCOR1SLC6A4REN | |
| SCHEMBL3650756 | 0.74 | KDM1A (0.47) | KDM1ARCOR1SLC6A4 | |
| SCHEMBL2017140 | 0.74 | KDM1A (0.50) | KDM1ARCOR1SLC6A4 |
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-2470524-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-07-04 | — | — | EP | disclosed |
| WO-2011023626-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-03 | — | — | WO | disclosed |