Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.43 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1542760 | 0.88 | CYP3A4 (0.55) | CYP3A4NR1H4GAAKDM4EPARP1 | |
| SCHEMBL1542824 | 0.88 | CYP3A4 (0.52) | CYP3A4NR1H4GAAKDM4EHTT | |
| SCHEMBL1542683 | 0.85 | CYP3A4 (0.61) | CYP3A4NR1H4GAAKDM4EABL1 | |
| SCHEMBL1542425 | 0.82 | CYP3A4 (0.47) | CYP3A4NR1H4KDM4EPARP1PPARG | |
| SCHEMBL2127583 | 0.81 | CYP3A4 (0.50) | CYP3A4NR1H4KDM4EABL1MAPT | |
| SCHEMBL1542439 | 0.81 | CYP3A4 (0.51) | CYP3A4KDM4EHSD17B10TP53RAB9A | |
| SCHEMBL1543035 | 0.81 | CYP3A4 (0.61) | CYP3A4NR1H4GAAKDM4EABL1 | |
| SCHEMBL1542666 | 0.80 | CYP3A4 (0.56) | CYP3A4NR1H4GAAKDM4ECFTR | |
| SCHEMBL1542187 | 0.80 | CYP3A4 (0.49) | CYP3A4NR1H4GAAHTTCD274 | |
| SCHEMBL1542669 | 0.80 | CYP3A4 (0.54) | CYP3A4MAPTNPC1RAB9ASMN1; SMN2 |
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-8273773-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-09-25 | — | — | US | claimed |
| EP-2307372-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | claimed |
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | claimed |
| WO-2010010017-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-28 | — | — | WO | claimed |
| US-20100021423-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2010-01-28 | — | — | US | 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-20100021423-A1 | Heterocyclic antiviral compounds | POLR2A, RRM2B, RRP1B | CYP3A4 528/4885NR1H4 658/4885NHERF1 1551/4885 |
“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.