Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 3/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.33 |
| ▸ | DUT | P33316 | 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 | |
|---|---|---|---|---|
| SCHEMBL352414 | 0.87 | CHRM2 (0.34) | TOP2AFKBP1ADUT | |
| SCHEMBL15951963 | 0.78 | TOP2A (0.34) | TOP2AFKBP1ARIPK1DUT | |
| SCHEMBL21250579 | 0.74 | CHRM2 (0.35) | TOP2AFKBP1ADUT | |
| SCHEMBL17136867 | 0.74 | CHRM2 (0.35) | TOP2AFKBP1ADUT | |
| SCHEMBL16054349 | 0.74 | FKBP1A (0.31) | TOP2AFKBP1ADUT | |
| SCHEMBL16689223 | 0.74 | CHRM2 (0.35) | TOP2AFKBP1ADUT | |
| SCHEMBL10025390 | 0.74 | CHRM2 (0.35) | TOP2AFKBP1ADUT | |
| SCHEMBL3739744 | 0.73 | DUT (0.36) | TOP2AFKBP1ADUT | |
| SCHEMBL3742158 | 0.73 | DUT (0.34) | TOP2AFKBP1ADUT | |
| SCHEMBL3628010 | 0.73 | DUT (0.36) | TOP2AFKBP1ADUT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1636208-B1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMA (US) | 2012-02-29 | — | — | EP | disclosed |
| EP-2332935-A1 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-15 | — | — | EP | disclosed |
| EP-1636208-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004092162-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 2004-10-28 | — | — | WO | disclosed |