Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 5/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2638996 | 0.94 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19AKR1C3AKR1C2 | |
| SCHEMBL2639819 | 0.94 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19AKR1C3AKR1C2 | |
| SCHEMBL3833330 | 0.91 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19AKR1C3AKR1C2 | |
| SCHEMBL2638934 | 0.90 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19SLC22A12RORC | |
| SCHEMBL2638836 | 0.90 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19AKR1C3AKR1C2 | |
| SCHEMBL2638424 | 0.88 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19AKR1C3AKR1C2 | |
| SCHEMBL2639007 | 0.88 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2641329 | 0.87 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19AKR1C3AKR1C2 | |
| SCHEMBL2638236 | 0.87 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19AKR1C3AKR1C2 | |
| SCHEMBL2638965 | 0.87 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19AKR1C3AKR1C2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1742908-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-11-11 | — | — | EP | claimed |