Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 2/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 2/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6059338 | 0.89 | LCK (0.40) | MAP4K4CYP17A1AURKARPS6KB1MAPKAPK2 | |
| SCHEMBL6058971 | 0.84 | STK17B (0.41) | CYP17A1MAPKAPK2AAK1MAPK14NAMPT | |
| SCHEMBL28576272 | 0.84 | AAK1 (0.42) | MAP4K4MAPKAPK2AAK1SYKLCK | |
| SCHEMBL7260688 | 0.82 | LCK (0.40) | CYP17A1MAPKAPK2AAK1MAPK14LCK | |
| SCHEMBL6058797 | 0.81 | PPARG (0.36) | MAP4K4AAK1LCKMAPK1 | |
| SCHEMBL24364864 | 0.81 | MAP4K4 (0.42) | MAP4K4AURKARPS6KB1MAPKAPK2SYK | |
| SCHEMBL6059174 | 0.80 | PPARG (0.34) | MAP4K4CYP17A1AURKARPS6KB1MAPKAPK2 | |
| SCHEMBL6058628 | 0.80 | PPARG (0.39) | AAK1MAPK1 | |
| SCHEMBL6058805 | 0.79 | PPARG (0.34) | SYKEGFRMAPK1 | |
| Malonic Acid Diethyl Ester SCHEMBL7380431 | 0.78 | PPARG (0.36) | AAK1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7071175-B1 | Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors | ASTRAZENECA AB (SE) | 2006-07-04 | — | — | US | disclosed |
| EP-1180098-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2002-02-20 | — | — | EP | disclosed |
| WO-2000066557-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2000-11-09 | — | — | WO | disclosed |