Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1986245 | 1.00 | KMT2A (0.48) | KMT2AL3MBTL1PDE4BKDM1AMAOB | |
| SCHEMBL13858621 | 0.93 | KMT2A (0.52) | KMT2AL3MBTL1PDE4BKDM1AMAOB | |
| SCHEMBL16780873 | 0.93 | KMT2A (0.52) | KMT2AL3MBTL1PDE4BKDM1AMAOB | |
| SCHEMBL13858620 | 0.93 | KMT2A (0.52) | KMT2AL3MBTL1PDE4BKDM1AMAOB | |
| SCHEMBL15716485 | 0.93 | KMT2A (0.52) | KMT2AL3MBTL1PDE4BKDM1AMAOB | |
| SCHEMBL2225981 | 0.89 | RORC (0.46) | RORCSIGMAR1MC4R | |
| SCHEMBL1977236 | 0.89 | RORC (0.46) | RORCSIGMAR1MC4R | |
| SCHEMBL1984852 | 0.89 | PDE4B (0.48) | KMT2AL3MBTL1PDE4BKDM1AMAOB | |
| SCHEMBL1984850 | 0.89 | PDE4B (0.48) | KMT2AL3MBTL1PDE4BKDM1AMAOB | |
| SCHEMBL1975660 | 0.89 | PDE4B (0.48) | KMT2AL3MBTL1PDE4BKDM1AMAOB |
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-2513084-A1 | PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073160-A1 | PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |