Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.55 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.55 |
| ▸ | GSK3A | P49840 | 1/20 | 0.55 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.55 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.55 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.55 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.55 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.55 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 11/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29545233 | 0.81 | CHEK1 (0.54) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL4143895 | 0.81 | CHEK1 (0.54) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL600231 | 0.81 | CHEK1 (0.54) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL19780078 | 0.79 | CHEK1 (0.51) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL7213866 | 0.78 | CHEK1 (0.50) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL13748528 | 0.76 | CHEK1 (0.69) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL31540052 | 0.75 | CHEK1 (0.48) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL17916968 | 0.75 | CHEK1 (0.48) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL31540070 | 0.75 | CHEK1 (0.48) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL21796520 | 0.75 | CHEK1 (0.54) | CHEK1AURKADAPK3CSNK1A1GSK3A |
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 |
|---|---|---|---|---|---|---|---|
| US-6610692-B1 | Anticoagulants | MERCK & CO., INC. | 2003-08-26 | — | — | US | disclosed |
| EP-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1124822-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |