Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | BRD4 | O60885 | 7/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | TDP2 | O95551 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1358305 | 0.91 | CYP3A4 (0.55) | CYP3A4TDP2 | |
| SCHEMBL1359735 | 0.85 | CYP3A4 (0.46) | CYP3A4ABL1 | |
| SCHEMBL1358362 | 0.85 | CYP3A4 (0.44) | CYP3A4BRD4CREBBP | |
| SCHEMBL1358251 | 0.83 | CYP3A4 (0.38) | CYP3A4 | |
| SCHEMBL1359548 | 0.82 | BRAF (0.36) | CYP3A4TDP2 | |
| SCHEMBL1359893 | 0.81 | ERCC5 (0.43) | CYP3A4BRD4GSK3B | |
| SCHEMBL1358298 | 0.81 | CYP3A4 (0.47) | CYP3A4BRD4CREBBP | |
| SCHEMBL1360035 | 0.80 | BRD4 (0.40) | CYP3A4BRD4CREBBP | |
| SCHEMBL1360136 | 0.80 | CYP3A4 (0.38) | CYP3A4 | |
| SCHEMBL1359206 | 0.80 | BRD4 (0.39) | CYP3A4BRD4CREBBPGSK3BTDP2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8067442-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2011-11-29 | — | — | US | claimed |
| US-20100081658-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC | 2010-04-01 | — | — | US | claimed |
| US-8067442-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2011-11-29 | — | — | US | disclosed |
| US-20100081658-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC | 2010-04-01 | — | — | US | disclosed |
| WO-2010034671-A1 | PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-01 | — | — | 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-20100081658-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | EIF2AK2, POLR2A, HCCS | CYP3A4 713/4885BRD4 1086/4885CREBBP 1002/4885 |
“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.