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 SCHEMBL17970113 | 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 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8048862-B2 | Macrocyclic inhibitors of hepatitis C virus replication | INTERMUNE, INC. (US) | 2011-11-01 | — | — | US | disclosed |
| US-20110195912-A1 | Oligomer-Protease Inhibitor Conjugates | NEKTAR THERAPEUTICS (US) | 2011-08-11 | — | — | US | disclosed |
| US-20110195912-A1 | Oligomer-Protease Inhibitor Conjugates | NEKTAR THERAPEUTICS (US) | 2011-08-11 | — | — | US | disclosed |
| WO-2010033226-A1 | OLIGOMER-PROTEASE INHIBITOR CONJUGATES | NEKTAR THERAPEUTICS (US) | 2010-03-25 | — | — | WO | disclosed |
| US-20090286843-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-11-19 | — | — | US | disclosed |
| US-20090286843-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-11-19 | — | — | US | disclosed |
| US-20090269305-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-10-29 | — | — | US | disclosed |
| US-20090111982-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-04-30 | — | — | US | disclosed |
| US-20090111982-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-04-30 | — | — | US | disclosed |
| US-20090105471-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-04-23 | — | — | US | disclosed |
| US-20090105471-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-04-23 | — | — | US | disclosed |
| US-7491794-B2 | Macrocyclic compounds as inhibitors of viral replication | INTERMUNE, INC. (US) | 2009-02-17 | — | — | US | disclosed |
| US-7491794-B2 | Macrocyclic compounds as inhibitors of viral replication | INTERMUNE, INC. (US) | 2009-02-17 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090111982-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | EIF2AK2, HAVCR2, ZC3HAV1 | CYP3A4 281/4885ADRB3 4337/4885ADRA2B 4492/4885 |
| US-20090269305-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | EIF2AK2, HAVCR2, ZC3HAV1 | CYP3A4 704/4885ADRB3 4326/4885ADRA2B 4470/4885 |
| US-20090286843-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | EIF2AK2, HAVCR2, ZC3HAV1 | CYP3A4 281/4885ADRB3 4337/4885ADRA2B 4492/4885 |
| US-20090105471-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | EIF2AK2, HAVCR2, ZC3HAV1 | CYP3A4 281/4885ADRB3 4337/4885ADRA2B 4492/4885 |
| US-20110195912-A1 | Oligomer-Protease Inhibitor Conjugates | DNPEP, SERPINB1, MME | CYP3A4 842/4885ADRB3 4105/4885ADRA2B 3833/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.