Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
| ▸ | BCAT2 | O15382 | 2/20 | 0.33 |
| ▸ | BCAT1 | P54687 | 2/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5370521 | 0.93 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5374302 | 0.90 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5368624 | 0.90 | CYP3A4 (0.80) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5668069 | 0.84 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5374191 | 0.83 | CYP3A4 (0.75) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL4279184 | 0.82 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL4274657 | 0.81 | CYP3A4 (0.91) | CYP3A4CYP2C9CYP2C19PIK3R1PIK3CA | |
| SCHEMBL5365033 | 0.81 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL14214335 | 0.81 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2C19SLC5A2EPAS1 | |
| SCHEMBL5375519 | 0.80 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19SLC22A12SLC5A2 |
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-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| 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.