Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 5/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1881268 | 0.94 | CYP3A4 (0.39) | CYP3A4LMNAHTTPGRCYP2C9 | |
| SCHEMBL12638574 | 0.90 | CYP3A4 (0.60) | CYP3A4LMNAHTTKCNH2PGR | |
| SCHEMBL1885246 | 0.88 | CYP3A4 (0.47) | CYP3A4KCNH2PGRCYP2C9CYP2C19 | |
| SCHEMBL12638608 | 0.88 | CYP3A4 (0.36) | CYP3A4LMNAHTTPGRCYP2C9 | |
| SCHEMBL12672327 | 0.88 | CYP3A4 (0.36) | CYP3A4LMNAHTTPGRCYP2C9 | |
| SCHEMBL1879023 | 0.87 | CYP3A4 (0.47) | CYP3A4KCNH2CYP2C9CYP2C19GRIN1 | |
| SCHEMBL2390224 | 0.83 | CYP3A4 (0.54) | CYP3A4KCNH2CYP2C9CYP2C19POLB | |
| SCHEMBL1883457 | 0.83 | CYP3A4 (0.47) | CYP3A4KCNH2CYP2C9CYP2C19GRIN1 | |
| SCHEMBL2391785 | 0.80 | CYP3A4 (0.52) | CYP3A4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL1885968 | 0.80 | CYP3A4 (0.47) | CYP3A4KCNH2CYP2C9CYP2C19 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7947709-B2 | Inhibit HIV-1 RT; 3-[6-Bromo-2-fluoro-3-(2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-phenoxy]-5-chloro-benzonitrile for example; AIDS or AIDS-related Complex (ARC) | ROCHE PALO ALTO LLC (US) | 2011-05-24 | — | — | US | claimed |
| EP-2170836-A1 | UREA AND CARBAMATE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2010-04-07 | — | — | EP | claimed |
| US-20090012034-A1 | Non-Nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2009-01-08 | — | — | US | claimed |
| WO-2009000663-A1 | UREA AND CARBAMATE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-31 | — | — | WO | claimed |
| US-7947709-B2 | Inhibit HIV-1 RT; 3-[6-Bromo-2-fluoro-3-(2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-phenoxy]-5-chloro-benzonitrile for example; AIDS or AIDS-related Complex (ARC) | ROCHE PALO ALTO LLC (US) | 2011-05-24 | — | — | US | disclosed |
| EP-2170836-A1 | UREA AND CARBAMATE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2010-04-07 | — | — | EP | disclosed |
| US-20090012034-A1 | Non-Nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2009-01-08 | — | — | US | disclosed |
| WO-2009000663-A1 | UREA AND CARBAMATE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-31 | — | — | WO | disclosed |
| WO-2009000663-A1 | UREA AND CARBAMATE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-31 | — | — | 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-20090012034-A1 | Non-Nucleoside reverse transcriptase inhibitors | REV1, POLR1A, XDH | CYP3A4 1026/4885LMNA 2604/4885HTT 3432/4885 |
“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.