Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13082483 | 0.91 | ADRB3 (0.39) | CYP3A4ADRB3ADRA2BADRA2CGAA | |
| SCHEMBL3470908 | 0.90 | GAA (0.34) | CYP3A4ADRB3ADRA2BADRA2CGAA | |
| SCHEMBL3470904 | 0.90 | GAA (0.34) | CYP3A4ADRB3ADRA2BADRA2CGAA | |
| SCHEMBL13082691 | 0.90 | CYP3A4 (0.35) | CYP3A4ADRB3ADRA2BADRA2CGAA | |
| SCHEMBL8103246 | 0.88 | ADRB3 (0.35) | CYP3A4ADRB3ADRA2BADRA2C | |
| SCHEMBL3793400 | 0.84 | CYP3A4 (0.34) | CYP3A4ADRB3ADRA2BADRA2C | |
| SCHEMBL3793404 | 0.84 | CYP3A4 (0.34) | CYP3A4ADRB3ADRA2BADRA2C | |
| SCHEMBL3469693 | 0.82 | ADRB3 (0.32) | CYP3A4ADRB3ADRA2BADRA2C | |
| SCHEMBL3469691 | 0.82 | ADRB3 (0.32) | CYP3A4ADRB3ADRA2BADRA2C | |
| SCHEMBL8243274 | 0.82 | ADRB3 (0.44) | CYP3A4ADRB3ADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| US-7829665-B2 | Macrocyclic inhibitors of hepatitis C virus replication | INTERMUNE, INC. (US) | 2010-11-09 | — | — | US | disclosed |