Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12808493 | 0.93 | ADRB3 (0.39) | ADRB3ADRA2BADRA2CPDE4B | |
| SCHEMBL7874760 | 0.93 | ADRB3 (0.49) | ADRB3ADRA2BADRA2CCYP3A4PDE4B | |
| SCHEMBL12808437 | 0.88 | ADRB3 (0.38) | ADRB3ADRA2BADRA2C | |
| SCHEMBL13059012 | 0.86 | ADRB3 (0.49) | ADRB3ADRA2BADRA2CCYP3A4PDE4B | |
| SCHEMBL13059152 | 0.86 | ADRB3 (0.49) | ADRB3ADRA2BADRA2CCYP3A4PDE4B | |
| SCHEMBL8380524 | 0.85 | ADRB3 (0.47) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL12844310 | 0.85 | ADRB3 (0.47) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL7816159 | 0.84 | ADRB3 (0.47) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL2238925 | 0.84 | ADRB3 (0.47) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL2238934 | 0.84 | ADRB3 (0.47) | ADRB3ADRA2BADRA2CCYP3A4 |
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-2305695-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |
| EP-2305698-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |
| EP-2103623-A2 | Novel macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2009-09-23 | — | — | EP | disclosed |