Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 4/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.31 |
| ▸ | TARS1 | P26639 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | BCL2 | P10415 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2641329 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19RORCSLC22A12 | |
| SCHEMBL2640997 | 0.94 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19RORCSLC22A12 | |
| SCHEMBL2637922 | 0.94 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19RORCSLC22A12 | |
| SCHEMBL3833330 | 0.94 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19RORCSLC22A12 | |
| SCHEMBL2638996 | 0.89 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19RORCSLC22A12 | |
| SCHEMBL5169997 | 0.88 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19RORCSLC22A12 | |
| SCHEMBL5170005 | 0.88 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19RORCSLC22A12 | |
| SCHEMBL3833407 | 0.88 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19RORCSLC22A12 | |
| SCHEMBL2638934 | 0.88 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19RORCSLC22A12 | |
| SCHEMBL3833331 | 0.87 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19RORCSLC22A12 |
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 |