Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 9/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5142309 | 0.88 | KIF11 (0.48) | KIF11POLBPDE4APDE4BPDE4C | |
| SCHEMBL5739410 | 0.85 | KIF11 (0.43) | KIF11POLBPDE4APDE4BPDE4C | |
| SCHEMBL5739539 | 0.85 | KIF11 (0.50) | KIF11PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5739778 | 0.84 | KIF11 (0.42) | KIF11PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5739886 | 0.81 | PDE4A (0.58) | KIF11PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5555712 | 0.80 | KIF11 (0.46) | KIF11PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5750358 | 0.80 | KIF11 (0.42) | KIF11PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5144517 | 0.80 | KIF11 (0.45) | KIF11POLBPDE4APDE4BPDE4C | |
| SCHEMBL5738581 | 0.79 | KIF11 (0.47) | KIF11PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5740181 | 0.79 | KIF11 (0.56) | KIF11CYP2C19 |
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 9 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-1551962-A4 | MITOTIC KINESIN BINDING SITE | MERCK & CO INC (US) | 2007-08-01 | — | — | EP | disclosed |
| EP-1463733-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2006-01-11 | — | — | EP | disclosed |
| EP-1551962-A2 | MITOTIC KINESIN BINDING SITE | Merck & Co., Inc. (US) | 2005-07-13 | — | — | EP | disclosed |
| EP-1463733-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2004-10-06 | — | — | EP | disclosed |
| WO-2004004652-A2 | MITOTIC KINESIN BINDING SITE | MERCK & CO., INC. (US) | 2004-01-15 | — | — | WO | disclosed |
| WO-2003050064-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2003-06-19 | — | — | WO | disclosed |