Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 11/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 11/20 | 0.53 |
| ▸ | PDE4A | P27815 | 9/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6881789 | 0.95 | PDE4D (0.60) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL27472680 | 0.86 | PDE4D (0.68) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL31148879 | 0.83 | CYP1A2 (0.79) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL1009826 | 0.83 | CYP1A2 (0.79) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL7909156 | 0.83 | PDE4B (0.61) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4162765 | 0.83 | PDE5A (0.70) | PDE4BPDE4DPDE4APDE4CMAPK14 | |
| SCHEMBL7910791 | 0.83 | ALDH1A1 (0.68) | PDE4BPDE4DPDE4APDE4CMAPK14 | |
| SCHEMBL6799815 | 0.82 | PDE4B (0.71) | TSHRPDE4BPDE4DPDE4APDE4C | |
| SCHEMBL7384113 | 0.82 | PDE4B (0.62) | PDE4BPDE4DPDE4APDE4CMAPK14 | |
| SCHEMBL7364684 | 0.81 | PDE4D (0.60) | PDE4BPDE4DPDE4APDE4CMAPK14 |
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-1202955-A4 | 1,4-SUBSTITUTED 4,4-DIARYL CYCLOHEXANES | SMITHKLINE BEECHAM CORP (US) | 2004-02-11 | — | — | EP | disclosed |
| US-6518306-B1 | PDE4 inhibitors particularly in regards to treating allergic and inflammatory diseases | SMITHKLINE BEECHAM CORPORATION | 2003-02-11 | — | — | US | disclosed |
| EP-1202955-A2 | 1,4-SUBSTITUTED 4,4-DIARYL CYCLOHEXANES | SmithKline Beecham Corporation (US) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001010385-A2 | 1,4-SUBSTITUTED 4,4-DIARYL CYCLOHEXANES | SMITHKLINE BEECHAM CORPORATION (US) | 2001-02-15 | — | — | WO | disclosed |