Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 7/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13617076 | 0.92 | CYP3A4 (0.39) | CYP3A4HDAC1HDAC8CTSBPPP3CB | |
| SCHEMBL2238823 | 0.92 | CYP3A4 (0.39) | CYP3A4HDAC1HDAC8CTSBPPP3CB | |
| SCHEMBL7819394 | 0.92 | CYP3A4 (0.39) | CYP3A4HDAC1HDAC8CTSBPPP3CB | |
| SCHEMBL7939394 | 0.88 | HDAC1 (0.40) | CYP3A4HDAC1HDAC8CTSBPPP3CB | |
| SCHEMBL3413273 | 0.88 | CYP3A4 (0.39) | CYP3A4CTSBPPP3CB | |
| SCHEMBL3413281 | 0.88 | CYP3A4 (0.39) | CYP3A4CTSBPPP3CB | |
| SCHEMBL8195602 | 0.84 | ITGB3 (0.37) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL14586252 | 0.83 | HDAC1 (0.35) | CYP3A4HDAC1HDAC8HDAC4ITGB3 | |
| SCHEMBL8243606 | 0.83 | ITGB3 (0.43) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL21486298 | 0.83 | CYP3A4 (0.42) | CYP3A4CTSBPPP3CB |
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-2086994-B1 | INHIBITORS OF HEPATITIS C VIRUS | BRISTOL MYERS SQUIBB CO (US) | 2014-11-26 | — | — | EP | disclosed |
| EP-2086994-A2 | INHIBITORS OF HEPATITIS C VIRUS | Brystol-Myers Squibb Company (US) | 2009-08-12 | — | — | EP | disclosed |
| WO-2008057875-A2 | INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-15 | — | — | WO | disclosed |