Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL3308555 | 0.92 | KDM4E (0.44) | CYP3A4KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3314903 | 0.89 | CYP3A4 (0.44) | CYP3A4KDM4EALDH1A1ALPLKMT2A | |
| SCHEMBL2352423 | 0.88 | CYP3A4 (0.40) | CYP3A4KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3308471 | 0.87 | CYP3A4 (0.44) | CYP3A4KDM4EALDH1A1HPGDALPL | |
| SCHEMBL3314215 | 0.85 | CYP3A4 (0.45) | CYP3A4KDM4EALDH1A1HSD17B10ALPL | |
| SCHEMBL3312623 | 0.83 | CYP3A4 (0.44) | CYP3A4ALPLCYP1A1HTR2A | |
| SCHEMBL3314664 | 0.82 | CYP3A4 (0.43) | CYP3A4KDM4EALDH1A1HPGDALPL | |
| SCHEMBL2362428 | 0.82 | CYP3A4 (0.44) | CYP3A4KDM4EALDH1A1HPGDGAA | |
| SCHEMBL2363467 | 0.81 | CYP3A4 (0.43) | CYP3A4KDM4EALDH1A1HPGDGAA | |
| SCHEMBL2352035 | 0.81 | CYP3A4 (0.38) | 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 423/4885KDM4E 2438/4885ALDH1A1 861/4885 |
“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.