Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 19/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 18/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 18/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 18/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7419473 | 0.88 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6172676 | 0.85 | PDE4A (0.52) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6172674 | 0.85 | PDE4A (0.52) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8508309 | 0.85 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7408401 | 0.85 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8511338 | 0.85 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7375913 | 0.85 | PDE4A (0.68) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7404582 | 0.84 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8510180 | 0.84 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8357454 | 0.83 | PDE4A (0.51) | PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| US-5861421-A | 4,4-(disubstituted) cyclohexan-1-one monomers and related compounds | SMITHKLINE BEECHAM CORPORATION (US) | 1999-01-19 | — | — | US | disclosed |
| EP-0800393-A4 | 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 1998-05-06 | — | — | EP | disclosed |
| EP-0800393-A1 | 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-10-15 | — | — | EP | disclosed |
| WO-1996019995-A1 | 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-07-04 | — | — | WO | disclosed |