Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 5/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8286493 | 0.87 | BTK (0.46) | BTKHDAC4HDAC1HDAC6GAA | |
| SCHEMBL8279336 | 0.85 | BTK (0.41) | BTKCA12CA14HDAC4HDAC1 | |
| SCHEMBL5848683 | 0.84 | CTSK (0.42) | BTKHDAC4HDAC1HDAC6GAA | |
| SCHEMBL6477906 | 0.82 | CTSK (0.44) | BTKHDAC4HDAC1HDAC6GAA | |
| SCHEMBL16923503 | 0.80 | BTK (0.48) | BTKCA12CA14HDAC4HDAC1 | |
| SCHEMBL15602067 | 0.80 | BTK (0.48) | BTKCA12CA14HDAC4HDAC1 | |
| SCHEMBL8554341 | 0.80 | CTSK (0.41) | BTKGAAAAK1CTSKCTSS | |
| SCHEMBL29413709 | 0.78 | BTK (0.40) | BTKHDAC4HDAC1HDAC6GAA | |
| SCHEMBL8251066 | 0.78 | CTSK (0.43) | BTKHDAC4HDAC1HDAC6GAA | |
| SCHEMBL571049 | 0.78 | BTK (0.47) | BTKHDAC4HDAC1HDAC6GAA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7759499-B2 | Compounds as inhibitors of hepatitis C virus NS3 serine protease | SCHERING CORPORATION (US) | 2010-07-20 | — | — | US | disclosed |
| EP-1385870-B1 | PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS | SCHERING CORP (US) | 2010-03-17 | — | — | EP | disclosed |
| EP-1737821-B1 | 3,4-(CYCLOPENTYL)-FUSED PROLINE COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORP (US) | 2009-08-05 | — | — | EP | disclosed |
| US-7425576-B2 | Compounds as inhibitors of hepatitis C virus NS3 serine protease | SCHERING CORPORATION (US) | 2008-09-16 | — | — | US | disclosed |
| US-7399749-B2 | Substituted prolines as inhibitors of hepatitis C virus NS3 serine protease | SCHERING CORPORATION (US) | 2008-07-15 | — | — | US | disclosed |
| US-7342041-B2 | 3,4-(cyclopentyl)-fused proline compounds as inhibitors of hepatitis C virus NS3 serine protease | SCHERING CORPORATION (US) | 2008-03-11 | — | — | US | disclosed |
| WO-2005087725-A2 | NOVEL COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-09-22 | — | — | WO | disclosed |