Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Danoprevir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 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 | |
|---|---|---|---|---|
| Danoprevir SCHEMBL1444652 | 1.00 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| Danoprevir SCHEMBL11939425 | 1.00 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| Danoprevir SCHEMBL6370805 | 1.00 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| Danoprevir SCHEMBL10238838 | 1.00 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| Danoprevir SCHEMBL11983895 | 1.00 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| Danoprevir SCHEMBL23948382 | 1.00 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| Danoprevir SCHEMBL12188232 | 1.00 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| Danoprevir SCHEMBL1444650 | 1.00 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| Danoprevir SCHEMBL7873481 | 1.00 | CYP3A4 (0.39) | CYP3A4ADRB3ADRA2BADRA2CCTSB | |
| Danoprevir SCHEMBL2289034 | 1.00 | CYP3A4 (0.39) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2225249-B1 | PROCESS FOR THE PREPARATION OF A MACROCYCLE | HOFFMANN LA ROCHE (CH) | 2016-08-03 | — | — | EP | disclosed |