Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TYMS | P04818 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.35 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1349591 | 1.00 | CYP3A4 (0.50) | CYP3A4TRPV1PADI4ALDH1A1TYMS | |
| SCHEMBL1346280 | 0.86 | CYP3A4 (0.48) | CYP3A4TRPV1PADI4PIP4K2APIP4K2B | |
| SCHEMBL1346276 | 0.86 | CYP3A4 (0.48) | CYP3A4TRPV1PADI4PIP4K2APIP4K2B | |
| SCHEMBL1348857 | 0.85 | CYP3A4 (0.51) | CYP3A4TRPV1PADI4PIP4K2APIP4K2B | |
| SCHEMBL1348856 | 0.85 | CYP3A4 (0.51) | CYP3A4TRPV1PADI4PIP4K2APIP4K2B | |
| SCHEMBL1543239 | 0.84 | CYP3A4 (0.68) | CYP3A4TRPV1PADI4PIP4K2APIP4K2B | |
| SCHEMBL1543237 | 0.84 | CYP3A4 (0.68) | CYP3A4TRPV1PADI4PIP4K2APIP4K2B | |
| SCHEMBL1349229 | 0.83 | CYP3A4 (0.53) | CYP3A4TRPV1PADI4PIP4K2APIP4K2B | |
| SCHEMBL1349228 | 0.83 | CYP3A4 (0.53) | CYP3A4TRPV1PADI4PIP4K2APIP4K2B | |
| SCHEMBL1348089 | 0.81 | CYP3A4 (0.48) | CYP3A4TRPV1PADI4PIP4K2APIP4K2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2480533-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-08-01 | — | — | EP | disclosed |
| 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 305/4885TRPV1 4388/4885PADI4 2236/4885 |
“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.