Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13082463 | 0.91 | CYP3A4 (0.34) | ADRB3ADRA2BADRA2CCYP3A4GAA | |
| SCHEMBL13082694 | 0.89 | ADRB3 (0.39) | ADRB3ADRA2BADRA2CCYP3A4GAA | |
| SCHEMBL12844310 | 0.89 | ADRB3 (0.47) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL8380524 | 0.89 | ADRB3 (0.47) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL8243564 | 0.89 | ADRB3 (0.37) | ADRB3ADRA2BADRA2CCYP3A4GAA | |
| SCHEMBL7816132 | 0.87 | ADRB3 (0.38) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL11984050 | 0.83 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL3793601 | 0.83 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL3793605 | 0.83 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL3061181 | 0.82 | CYP3A4 (0.37) | ADRB3ADRA2BADRA2CCYP3A4GAA |
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 |