Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 17/20 | 0.44 |
| ▸ | CA2 | P00918 | 17/20 | 0.44 |
| ▸ | CA12 | O43570 | 13/20 | 0.44 |
| ▸ | CA9 | Q16790 | 12/20 | 0.44 |
| ▸ | CA5A | P35218 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2639007 | 0.94 | CYP3A4 (0.44) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL2639003 | 0.94 | CA1 (0.49) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL2639076 | 0.94 | CYP3A4 (0.42) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL2639016 | 0.92 | CA12 (0.42) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL2639435 | 0.90 | CYP3A4 (0.44) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL2638578 | 0.89 | CA1 (0.41) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL4603706 | 0.87 | P2RX4 (0.41) | CA1CA2CA12CA9CA5A | |
| SCHEMBL2637899 | 0.87 | CA1 (0.49) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL2639168 | 0.87 | CA1 (0.43) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL2638934 | 0.86 | CYP3A4 (0.45) | CYP3A4RORC |
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 |
|---|---|---|---|---|---|---|---|
| JP-4810529-B2 | — | — | 2011-11-09 | — | — | JP | claimed |
| EP-1742908-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-11-11 | — | — | EP | claimed |
| EP-1742908-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-01-17 | — | — | EP | claimed |
| WO-2005102989-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-11-03 | — | — | WO | claimed |
| EP-1742908-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-11-11 | — | — | EP | disclosed |