Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 2/20 | 0.35 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.34 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.34 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1346748 | 0.87 | CYP3A4 (0.55) | CYP3A4GRIN1GRIN2BEP300PDPK1 | |
| SCHEMBL12133914 | 0.85 | CYP3A4 (0.39) | CYP3A4KDM4E | |
| SCHEMBL1542324 | 0.82 | CYP3A4 (0.62) | CYP3A4EP300TRPV1EPHX2NR1H4 | |
| SCHEMBL1348834 | 0.80 | CYP3A4 (0.57) | CYP3A4EP300PIP4K2APIP4K2BPIP4K2C | |
| SCHEMBL1350078 | 0.80 | CYP3A4 (0.57) | CYP3A4EP300PIP4K2APIP4K2BPIP4K2C | |
| SCHEMBL1542674 | 0.78 | CYP3A4 (0.59) | CYP3A4GRIN1GRIN2BEP300TRPV1 | |
| SCHEMBL1542367 | 0.75 | CYP3A4 (0.62) | CYP3A4EP300TRPV1EPHX2NR1H4 | |
| SCHEMBL1542619 | 0.75 | CYP3A4 (0.67) | CYP3A4EP300TRPV1KDM4EHPGD | |
| SCHEMBL1542382 | 0.74 | CYP3A4 (0.59) | CYP3A4TRPV1EPHX2NR1H4 | |
| SCHEMBL2746103 | 0.74 | CYP3A4 (0.49) | CYP3A4TRPV1EPHX2NR1H4 |
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-8063072-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2011-11-22 | — | — | US | claimed |
| US-8063072-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2011-11-22 | — | — | US | disclosed |
| WO-2011033045-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-24 | — | — | WO | disclosed |
| US-20110070189-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | LI JIM | 2011-03-24 | — | — | 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 (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-20110070189-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | EIF2AK2, HCCS, RTF2 | CYP3A4 305/4885GRIN1 4149/4885GRIN2B 4243/4885 |
“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.