Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 11/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19180711 | 1.00 | PDE4B (0.46) | PDE4BKMT2AL3MBTL1NTRK1DRD2 | |
| SCHEMBL1975870 | 1.00 | PDE4B (0.46) | PDE4BKMT2AL3MBTL1NTRK1DRD2 | |
| SCHEMBL1990123 | 0.92 | NTRK1 (0.49) | PDE4BKMT2AL3MBTL1NTRK1 | |
| SCHEMBL2013229 | 0.92 | NTRK1 (0.49) | PDE4BKMT2AL3MBTL1NTRK1 | |
| SCHEMBL1975660 | 0.91 | PDE4B (0.48) | PDE4BKMT2AL3MBTL1DRD2DRD4 | |
| SCHEMBL1984850 | 0.91 | PDE4B (0.48) | PDE4BKMT2AL3MBTL1DRD2DRD4 | |
| SCHEMBL1984852 | 0.91 | PDE4B (0.48) | PDE4BKMT2AL3MBTL1DRD2DRD4 | |
| SCHEMBL6904049 | 0.87 | NTRK1 (0.43) | NTRK1DRD2DRD4DRD3 | |
| SCHEMBL23369466 | 0.87 | NTRK1 (0.49) | PDE4BKMT2AL3MBTL1NTRK1DRD2 | |
| SCHEMBL21622314 | 0.87 | NTRK1 (0.49) | PDE4BKMT2AL3MBTL1NTRK1DRD2 |
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 4 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 |
| EP-2513052-A1 | PYRROLIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011085886-A1 | PYRROLIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | disclosed |
| WO-2011073160-A1 | PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |