Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.32 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 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 | |
|---|---|---|---|---|
| SCHEMBL1358251 | 0.88 | CYP3A4 (0.38) | CYP3A4ALOX15ALOX12 | |
| SCHEMBL1359206 | 0.87 | BRD4 (0.39) | CYP3A4EGFRTDP2 | |
| SCHEMBL1359893 | 0.86 | ERCC5 (0.43) | CYP3A4PPARGPPARDPPARA | |
| SCHEMBL1360035 | 0.85 | BRD4 (0.40) | CYP3A4PIK3CAMAOB | |
| SCHEMBL1360136 | 0.85 | CYP3A4 (0.38) | CYP3A4 | |
| SCHEMBL1359032 | 0.83 | SIRT1 (0.43) | CYP3A4HSD17B1HSD17B2 | |
| SCHEMBL1359880 | 0.83 | CYP3A4 (0.36) | CYP3A4PDE3BPDE3A | |
| SCHEMBL1359875 | 0.82 | CYP3A4 (0.49) | CYP3A4TDP2 | |
| SCHEMBL1358345 | 0.82 | CYP3A4 (0.41) | CYP3A4 | |
| SCHEMBL1358769 | 0.82 | MAOB (0.45) | CYP3A4MAOB |
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 4 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 |
| EP-2334662-A1 | PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV | F. Hoffmann-La Roche AG (CH) | 2011-06-22 | — | — | EP | claimed |
| US-20100081658-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC | 2010-04-01 | — | — | US | claimed |
| WO-2010034671-A1 | PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-01 | — | — | WO | claimed |
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 | BRAF 2984/4885CYP3A4 713/4885PDE3B 859/4885 |
“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.