Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.66 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | RHEB | Q15382 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | PDE9A | O76083 | 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 | |
|---|---|---|---|---|
| SCHEMBL5368939 | 0.88 | CYP3A4 (0.64) | CYP3A4SLC6A4HTR2AKCNH2RHEB | |
| SCHEMBL14570707 | 0.86 | CYP3A4 (0.50) | CYP3A4 | |
| SCHEMBL5365181 | 0.84 | CYP3A4 (0.67) | CYP3A4SLC6A4HTR2AKCNH2RHEB | |
| SCHEMBL5370245 | 0.83 | CYP3A4 (0.63) | CYP3A4SLC6A4HTR2AKCNH2RHEB | |
| SCHEMBL5377723 | 0.83 | CYP3A4 (0.66) | CYP3A4SLC6A4HTR2AKCNH2RHEB | |
| SCHEMBL5372571 | 0.83 | CYP3A4 (0.60) | CYP3A4SLC6A4HTR2AKCNH2PTGS1 | |
| SCHEMBL5372601 | 0.82 | CYP3A4 (0.62) | CYP3A4SLC6A4HTR2AKCNH2RHEB | |
| SCHEMBL5374289 | 0.82 | CYP3A4 (0.64) | CYP3A4AKR1B1AHRPRMT5WDR77 | |
| SCHEMBL5377627 | 0.82 | CYP3A4 (0.64) | CYP3A4SLC6A4HTR2AKCNH2RHEB | |
| SCHEMBL5375418 | 0.81 | CYP3A4 (0.60) | CYP3A4SLC6A4HTR2AKCNH2AKR1B1 |
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 264/4885SLC6A4 2509/4885HTR2A 3525/4885 |
“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.