Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | RORC | P51449 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 9/20 | 0.34 |
| ▸ | CA2 | P00918 | 9/20 | 0.34 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5170005 | 1.00 | CYP3A4 (0.39) | CYP3A4RORCCA1CA2CA12 | |
| SCHEMBL2637922 | 0.94 | CYP3A4 (0.40) | CYP3A4RORCCA1CA2CA12 | |
| SCHEMBL2640997 | 0.94 | CYP3A4 (0.40) | CYP3A4RORCCA1CA2CA12 | |
| SCHEMBL3833407 | 0.92 | CYP3A4 (0.42) | CYP3A4RORCCA1CA2CA12 | |
| SCHEMBL2638236 | 0.88 | CYP3A4 (0.39) | CYP3A4RORCCA1CA2CA12 | |
| SCHEMBL2641329 | 0.88 | CYP3A4 (0.39) | CYP3A4RORCCA1CA2CA12 | |
| SCHEMBL2638552 | 0.87 | CYP3A4 (0.42) | CYP3A4RORCCA1CA2CA12 | |
| SCHEMBL2638424 | 0.86 | CYP3A4 (0.43) | CYP3A4RORCCA1CA2CA12 | |
| SCHEMBL2638373 | 0.86 | CYP3A4 (0.41) | CYP3A4RORCCA1CA2CA12 | |
| SCHEMBL3833330 | 0.86 | CYP3A4 (0.42) | CYP3A4RORCCYP2C9CYP2C19SLC22A12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1742908-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005102989-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-11-03 | — | — | WO | disclosed |