Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13818130 | 1.00 | CYP3A4 (0.34) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL13824806 | 1.00 | CYP3A4 (0.34) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL11975800 | 1.00 | CYP3A4 (0.34) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL13564304 | 0.94 | CYP3A4 (0.34) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL13824942 | 0.90 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL11975796 | 0.90 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL8176689 | 0.90 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL13818134 | 0.90 | CYP3A4 (0.36) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL11975806 | 0.90 | CYP3A4 (0.36) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL11975915 | 0.89 | CTSB (0.33) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2177523-A1 | Novel macrocyclic inhibitors of hepatitis c virus replication | Intermune, Inc. (US) | 2010-04-21 | — | — | EP | disclosed |
| WO-2008137779-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2008-11-13 | — | — | WO | disclosed |