Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.81 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.81 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.81 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4274657 | 0.92 | CYP3A4 (0.91) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5368425 | 0.90 | CYP3A4 (0.86) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL4272969 | 0.90 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL4274479 | 0.90 | CYP3A4 (0.86) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5331103 | 0.87 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19KCNH2RORC | |
| SCHEMBL5368624 | 0.86 | CYP3A4 (0.80) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5366963 | 0.85 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19KCNH2RORC | |
| SCHEMBL5668069 | 0.84 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5375519 | 0.83 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5374191 | 0.83 | CYP3A4 (0.75) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 |
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-7288542-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-10-30 | — | — | US | disclosed |
| 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-1730120-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005090317-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2005-09-29 | — | — | WO | disclosed |
| US-20050215554-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2005-09-29 | — | — | US | 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-20050215554-A1 | Non-nucleoside reverse transcriptase inhibitors | RTF1, HPRT1, TYMP | CYP3A4 2011/4885CYP2C9 2293/4885CYP2C19 1988/4885 |
“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.