Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 4/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5142334 | 0.82 | MEN1 (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5144835 | 0.80 | PDE4A (0.50) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5742407 | 0.79 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5739410 | 0.77 | KIF11 (0.43) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5764331 | 0.75 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5764546 | 0.74 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL6213946 | 0.74 | PDE4A (0.76) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5107156 | 0.74 | MAPT (0.51) | MAPTNPSR1MAPK1KDM4EGAA | |
| SCHEMBL5062786 | 0.74 | MAPT (0.53) | MAPTNPSR1MAPK1KDM4EGAA | |
| SCHEMBL5739015 | 0.72 | PDE4B (0.79) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |