Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 12/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 7/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2364053 | 0.92 | CYP3A4 (0.49) | CYP3A4EPHX2NR1H4PPARGROCK2 | |
| SCHEMBL13329972 | 0.88 | EPHX2 (0.43) | CYP3A4EPHX2NR1H4PPARGROCK2 | |
| SCHEMBL2354239 | 0.88 | EPHX2 (0.43) | CYP3A4EPHX2NR1H4PPARGROCK2 | |
| SCHEMBL2354460 | 0.88 | EPHX2 (0.44) | CYP3A4EPHX2NR1H4PPARGROCK2 | |
| SCHEMBL3311096 | 0.87 | CYP3A4 (0.42) | CYP3A4EPHX2NR1H4PPARGROCK2 | |
| SCHEMBL2354414 | 0.87 | EPHX2 (0.42) | CYP3A4EPHX2NR1H4PPARGROCK2 | |
| SCHEMBL3308176 | 0.82 | CYP3A4 (0.42) | CYP3A4EPHX2NR1H4 | |
| SCHEMBL2362967 | 0.82 | CYP3A4 (0.50) | CYP3A4 | |
| SCHEMBL3311934 | 0.81 | MAPK1 (0.43) | CYP3A4ROCK2ROCK1 | |
| SCHEMBL2352735 | 0.79 | CYP3A4 (0.45) | CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8232271-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-07-31 | — | — | US | claimed |
| US-20100111900-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC | 2010-05-06 | — | — | US | claimed |
| US-8232271-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-07-31 | — | — | US | disclosed |
| EP-2350007-A1 | HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-08-03 | — | — | EP | disclosed |
| US-20100111900-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC | 2010-05-06 | — | — | US | disclosed |
| WO-2010049331-A1 | HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-06 | — | — | WO | 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 (1 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-20100111900-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | POLR2A, EIF2AK2, POLR2B | CYP3A4 423/4885EPHX2 3590/4885NR1H4 928/4885 |
“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.