Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 6/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14073621 | 1.00 | HDAC4 (0.42) | HDAC4HDAC1HDAC6EPHX1CTSS | |
| SCHEMBL24298159 | 0.87 | EPHX1 (0.46) | HDAC4HDAC1HDAC6EPHX1CTSS | |
| SCHEMBL90706 | 0.87 | EPHX1 (0.46) | HDAC4HDAC1HDAC6EPHX1CTSS | |
| SCHEMBL89503 | 0.87 | EPHX1 (0.46) | HDAC4HDAC1HDAC6EPHX1CTSS | |
| SCHEMBL14073619 | 0.82 | EPHX1 (0.46) | HDAC4HDAC1HDAC6EPHX1CTSS | |
| SCHEMBL3125943 | 0.82 | EPHX1 (0.46) | HDAC4HDAC1HDAC6EPHX1CTSS | |
| SCHEMBL90608 | 0.82 | EPHX1 (0.44) | HDAC4HDAC1HDAC6EPHX1CTSS | |
| SCHEMBL90287 | 0.82 | EPHX1 (0.44) | HDAC4HDAC1HDAC6EPHX1CTSS | |
| SCHEMBL14509988 | 0.82 | THRB (0.38) | EPHX1CA1CA2KMT2ATHRB | |
| SCHEMBL7905864 | 0.81 | HDAC4 (0.39) | HDAC4HDAC1HDAC6EPHX1CTSS |
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 |
|---|---|---|---|---|---|---|---|
| EP-1939213-B1 | Novel compounds as inhibitors of hepatitis C virus NS3 serine protease | SCHERING CORP (US) | 2010-08-25 | — | — | EP | disclosed |
| EP-1939213-A1 | Novel compounds as inhibitors of hepatitis C virus NS3 serine protease | SCHERING CORPORATION (US) | 2008-07-02 | — | — | EP | disclosed |
| WO-2005087725-A2 | NOVEL COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-09-22 | — | — | WO | disclosed |