Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL12132016 | 0.90 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19EPAS1F10 | |
| SCHEMBL1343942 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19EPAS1F10 | |
| SCHEMBL13661696 | 0.88 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19EPAS1F10 | |
| SCHEMBL5372331 | 0.85 | MAPT (0.35) | CYP3A4CYP2C9CYP2C19EPAS1MAPT | |
| SCHEMBL2342519 | 0.85 | CYP3A4 (0.34) | CYP3A4F10MAPTALDH1A1TP53 | |
| SCHEMBL1344213 | 0.85 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19EPAS1F10 | |
| SCHEMBL1343934 | 0.83 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19EPAS1F10 | |
| SCHEMBL1344605 | 0.82 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19EPAS1F10 | |
| SCHEMBL1342509 | 0.81 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19EPAS1F10 | |
| SCHEMBL1342245 | 0.80 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19EPAS1KCNH2 |
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-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| EP-1608629-A1 | BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-28 | — | — | EP | disclosed |
| US-20040198736-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2004-10-07 | — | — | US | disclosed |
| WO-2004085406-A1 | BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-10-07 | — | — | 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-20040198736-A1 | Non-nucleoside reverse transcriptase inhibitors | POLR1A, POLR2A, POLR2E | CYP3A4 264/4885CYP2C9 808/4885CYP2C19 430/4885 |
“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.