Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 8/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 3/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL5738581 | 0.92 | KIF11 (0.47) | KIF11HDAC6HDAC1HDAC11HDAC8 | |
| SCHEMBL5740181 | 0.92 | KIF11 (0.56) | KIF11CYP2C19 | |
| SCHEMBL5738302 | 0.92 | KIF11 (0.52) | KIF11HDAC6HDAC1HDAC11HDAC8 | |
| SCHEMBL5739754 | 0.91 | KIF11 (0.47) | KIF11HDAC6HDAC1HDAC11HDAC8 | |
| SCHEMBL5142309 | 0.91 | KIF11 (0.48) | KIF11HDAC6HDAC1HDAC11HDAC8 | |
| SCHEMBL5739539 | 0.91 | KIF11 (0.50) | KIF11HDAC6HDAC1HDAC11HDAC8 | |
| SCHEMBL5738959 | 0.90 | KIF11 (0.48) | KIF11PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5738316 | 0.90 | KIF11 (0.47) | KIF11HDAC6HDAC1HDAC11HDAC8 | |
| SCHEMBL5738825 | 0.84 | KIF11 (0.59) | KIF11CYP2C19 | |
| SCHEMBL5739333 | 0.84 | KIF11 (0.55) | KIF11PDE4APDE4BPDE4CPDE4D |
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 6 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 |
| EP-1463733-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2006-01-11 | — | — | EP | disclosed |
| EP-1463733-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003050064-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2003-06-19 | — | — | WO | disclosed |