Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 4/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | STAT1 | P42224 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5739542 | 0.92 | PDE4A (0.45) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5739526 | 0.92 | KIF11 (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5738555 | 0.91 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5740170 | 0.90 | KIF11 (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5739094 | 0.90 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5740182 | 0.89 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5739231 | 0.87 | PDE4A (0.42) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5738219 | 0.87 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5739164 | 0.86 | PDE4A (0.61) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5142309 | 0.84 | KIF11 (0.48) | PDE4APDE4BPDE4CPDE4DPDE3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1463733-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2006-01-11 | — | — | EP | claimed |
| EP-1463733-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2004-10-06 | — | — | EP | claimed |
| WO-2003050064-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2003-06-19 | — | — | WO | claimed |