Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 5/20 | 0.35 |
| ▸ | CA2 | P00918 | 5/20 | 0.35 |
| ▸ | CA12 | O43570 | 4/20 | 0.35 |
| ▸ | CA9 | Q16790 | 4/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2638373 | 0.93 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19PDK1PDK2 | |
| SCHEMBL3833407 | 0.93 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19PDK1PDK2 | |
| SCHEMBL2638424 | 0.92 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19SLC22A12RORC | |
| SCHEMBL2639193 | 0.91 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL2639819 | 0.90 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19ALDH1A1SLC22A12 | |
| SCHEMBL2638882 | 0.90 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19ALDH1A1PDK1 | |
| SCHEMBL2639248 | 0.89 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19SLC22A12RORC | |
| SCHEMBL2637922 | 0.89 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19PDK1PDK2 | |
| SCHEMBL2640997 | 0.89 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19PDK1PDK2 | |
| SCHEMBL2638836 | 0.89 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19PDK1PDK2 |
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 |