Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 3/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13622642 | 1.00 | ALDH1A1 (0.43) | ALDH1A1MMP1MMP2MMP3MMP9 | |
| SCHEMBL8178666 | 1.00 | ALDH1A1 (0.43) | ALDH1A1MMP1MMP2MMP3MMP9 | |
| SCHEMBL12679223 | 0.88 | CTSS (0.43) | ALDH1A1MMP1MMP2MMP3MMP9 | |
| SCHEMBL13622704 | 0.86 | KMT2A (0.43) | ALDH1A1MALT1KMT2AAKT1CTSS | |
| SCHEMBL13632866 | 0.86 | KMT2A (0.43) | ALDH1A1MALT1KMT2AAKT1CTSS | |
| SCHEMBL5551910 | 0.86 | CA1 (0.50) | ALDH1A1MMP1MMP2MMP3MMP9 | |
| SCHEMBL5551903 | 0.86 | CA1 (0.50) | ALDH1A1MMP1MMP2MMP3MMP9 | |
| SCHEMBL5551909 | 0.86 | CA1 (0.50) | ALDH1A1MMP1MMP2MMP3MMP9 | |
| SCHEMBL13622658 | 0.86 | NPSR1 (0.44) | ALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL8282944 | 0.86 | NPSR1 (0.44) | ALDH1A1KMT2AMAPTMEN1 |
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 |