Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL2942854 | 0.89 | CYP3A4 (0.38) | CYP3A4KCNH2ANO1PDK1PDK2 | |
| SCHEMBL2950724 | 0.88 | CYP3A4 (0.38) | CYP3A4KCNH2ANO1PDK1PDK2 | |
| SCHEMBL2944457 | 0.86 | CYP3A4 (0.36) | CYP3A4KCNH2PDK1PDK2PDK3 | |
| SCHEMBL2951433 | 0.86 | CYP3A4 (0.36) | CYP3A4KCNH2CA12CA1CA2 | |
| SCHEMBL2944696 | 0.86 | CYP3A4 (0.36) | CYP3A4KCNH2ANO1CA12CA1 | |
| SCHEMBL2950902 | 0.85 | CYP3A4 (0.37) | CYP3A4KCNH2ANO1RORCCYP2C9 | |
| SCHEMBL2942807 | 0.85 | KCNH2 (0.35) | CYP3A4KCNH2CA12CA1CA2 | |
| SCHEMBL2944695 | 0.85 | CYP3A4 (0.38) | CYP3A4KCNH2ANO1CA12CA1 | |
| SCHEMBL2945361 | 0.84 | CYP3A4 (0.34) | CYP3A4KCNH2PDK1PDK2PDK3 | |
| SCHEMBL2948154 | 0.84 | CYP3A4 (0.36) | CYP3A4KCNH2ANO1CA12CA1 |
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-7754919-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2010-07-13 | — | — | US | claimed |
| EP-1940782-B1 | N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-03-11 | — | — | EP | claimed |
| EP-1940782-A1 | N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-07-09 | — | — | EP | claimed |
| WO-2007045572-A1 | N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-26 | — | — | WO | claimed |
| EP-1940782-B1 | N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-03-11 | — | — | EP | disclosed |