Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL3799809 | 1.00 | CYP3A4 (0.38) | CYP3A4CTSBPPP3CBHDAC8HDAC1 | |
| SCHEMBL3799814 | 1.00 | CYP3A4 (0.38) | CYP3A4CTSBPPP3CBHDAC8HDAC1 | |
| SCHEMBL12784431 | 0.93 | CYP3A4 (0.35) | CYP3A4CTSBPPP3CBHDAC1 | |
| SCHEMBL11984006 | 0.92 | CYP3A4 (0.37) | CYP3A4HDAC8HDAC1 | |
| SCHEMBL7939394 | 0.90 | HDAC1 (0.40) | CYP3A4CTSBPPP3CBHDAC8HDAC1 | |
| SCHEMBL3470046 | 0.89 | CYP3A4 (0.37) | CYP3A4CTSBPPP3CBHDAC8HDAC1 | |
| SCHEMBL12768163 | 0.89 | CYP3A4 (0.37) | CYP3A4CTSBPPP3CBHDAC8HDAC1 | |
| SCHEMBL3470049 | 0.89 | CYP3A4 (0.37) | CYP3A4CTSBPPP3CBHDAC8HDAC1 | |
| SCHEMBL3805728 | 0.87 | CYP3A4 (0.36) | CYP3A4CTSBPPP3CBHDAC8HDAC1 | |
| SCHEMBL3805730 | 0.87 | CYP3A4 (0.36) | CYP3A4CTSBPPP3CBHDAC8HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2305696-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |