Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL11940053 | 0.94 | CYP3A4 (0.37) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL16161671 | 0.92 | CTSB (0.35) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL16241936 | 0.92 | CTSB (0.35) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL3074426 | 0.92 | CTSB (0.35) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL9958267 | 0.92 | CTSB (0.35) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL2158218 | 0.92 | CTSB (0.35) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL16241935 | 0.92 | CTSB (0.35) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL9958019 | 0.91 | CTSB (0.45) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL6381662 | 0.90 | CYP3A4 (0.43) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL2159203 | 0.87 | CTSB (0.36) | CYP3A4CTSBADRB3ADRA2BADRA2C |
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-2468285-B1 | Macrocyclic hepatitis C serine protease inhibitors | ENANTA PHARM INC (US) | 2014-10-15 | — | — | EP | disclosed |
| EP-2468285-A1 | Macrocyclic hepatitis C serine protease inhibitors | Enanta Pharmaceuticals, Inc. (US) | 2012-06-27 | — | — | EP | disclosed |
| EP-2340029-A2 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | Enanta Pharmaceuticals, Inc. (US) | 2011-07-06 | — | — | EP | disclosed |