Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8048218 | 0.86 | CYP3A4 (0.42) | CYP3A4BIRC2CTSBPPP3CBHCRTR1 | |
| SCHEMBL8056871 | 0.86 | CYP3A4 (0.41) | CYP3A4BIRC2CTSBPPP3CBHCRTR1 | |
| SCHEMBL8052872 | 0.84 | CYP3A4 (0.41) | CYP3A4BIRC2CTSBPPP3CBHCRTR1 | |
| SCHEMBL8058779 | 0.84 | CYP3A4 (0.44) | CYP3A4CTSBPPP3CBHCRTR1HCRTR2 | |
| SCHEMBL3404135 | 0.79 | CYP3A4 (0.59) | CYP3A4CTSBPPP3CB | |
| SCHEMBL8142339 | 0.79 | CYP3A4 (0.59) | CYP3A4CTSBPPP3CB | |
| SCHEMBL3403613 | 0.79 | CYP3A4 (0.61) | CYP3A4CTSBPPP3CB | |
| SCHEMBL13757655 | 0.79 | CYP3A4 (0.61) | CYP3A4CTSBPPP3CB | |
| SCHEMBL8057773 | 0.79 | CYP3A4 (0.49) | CYP3A4BIRC2CTSBHCRTR1HCRTR2 | |
| SCHEMBL8045867 | 0.78 | BIRC2 (0.39) | BIRC2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009046098-A1 | NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION | SMITHKLINE BEECHAM CORPORATION (US) | 2009-04-09 | — | — | WO | disclosed |