Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8282957 | 0.83 | ALDH1A1 (0.43) | MAPTPPARGPPARAALDH1A1CA9 | |
| SCHEMBL8178666 | 0.83 | ALDH1A1 (0.43) | MAPTPPARGPPARAALDH1A1CA9 | |
| SCHEMBL13622642 | 0.83 | ALDH1A1 (0.43) | MAPTPPARGPPARAALDH1A1CA9 | |
| SCHEMBL8282944 | 0.77 | NPSR1 (0.44) | KDM4EGAAMAPTALDH1A1TSHR | |
| SCHEMBL13622658 | 0.77 | NPSR1 (0.44) | KDM4EGAAMAPTALDH1A1TSHR | |
| SCHEMBL12679223 | 0.72 | CTSS (0.43) | PPARGPPARAALDH1A1CA9ATM | |
| SCHEMBL3387424 | 0.71 | ALDH1A1 (0.43) | MAPTALDH1A1ATMCTSSCTSK | |
| SCHEMBL13622704 | 0.71 | KMT2A (0.43) | GAAMAPTALDH1A1HSD17B10ATM | |
| SCHEMBL13632866 | 0.71 | KMT2A (0.43) | GAAMAPTALDH1A1HSD17B10ATM | |
| SCHEMBL5551909 | 0.70 | CA1 (0.50) | ALDH1A1CA1CA2CA7CA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1730142-B1 | NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS | SCHERING CORP (US) | 2011-06-29 | — | — | EP | disclosed |
| WO-2005085242-A1 | NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2005-09-15 | — | — | WO | disclosed |