Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3056439 | 0.99 | ADRB3 (0.42) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| Diethylamine SCHEMBL3052675 | 0.93 | ADRB3 (0.45) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| Diethylamine SCHEMBL3052671 | 0.93 | ADRB3 (0.45) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| SCHEMBL10009402 | 0.90 | ADRB3 (0.43) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| SCHEMBL10009404 | 0.90 | ADRB3 (0.43) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| SCHEMBL3066843 | 0.90 | ADRB3 (0.51) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| SCHEMBL9957912 | 0.90 | ADRB3 (0.51) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| SCHEMBL3066846 | 0.90 | ADRB3 (0.51) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| Paritaprevir SCHEMBL3069964 | 0.89 | CTSB (0.45) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| Paritaprevir SCHEMBL16541443 | 0.89 | CTSB (0.45) | ADRB3ADRA2BADRA2CCYP3A4CTSB |
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-2468287-B1 | Macrocyclic hepatitis c serine protease inhibitors | ENANTA PHARM INC (US) | 2014-04-23 | — | — | EP | disclosed |
| EP-2340029-B1 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARM INC (US) | 2014-03-05 | — | — | EP | disclosed |
| EP-2468287-A1 | Macrocyclic hepatitis c serine protease inhibitors | Enanta Pharmaceuticals, Inc. (US) | 2012-06-27 | — | — | EP | disclosed |