Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL13071857 | 0.93 | CYP3A4 (0.41) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL13071382 | 0.92 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL12844263 | 0.92 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL7873797 | 0.92 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL12792858 | 0.88 | CYP3A4 (0.40) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL12792802 | 0.88 | CYP3A4 (0.40) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL13071855 | 0.87 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL13071602 | 0.87 | CYP3A4 (0.41) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL13071860 | 0.87 | ADRB3 (0.39) | ADRB3ADRA2BADRA2CHDAC1HDAC8 | |
| SCHEMBL12731025 | 0.85 | CYP3A4 (0.41) | CYP3A4ADRB3ADRA2BADRA2CCTSB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009142842-A9 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2010-11-25 | — | — | WO | disclosed |
| WO-2009142842-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-26 | — | — | WO | disclosed |