Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.67 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.35 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL5370387 | 0.93 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5374302 | 0.92 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5368624 | 0.92 | CYP3A4 (0.80) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5668069 | 0.91 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5365033 | 0.89 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5375519 | 0.87 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19SLC5A2EPAS1 | |
| SCHEMBL5370180 | 0.86 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19PIK3R1PIK3CA | |
| SCHEMBL5374191 | 0.84 | CYP3A4 (0.75) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL4279184 | 0.83 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5377154 | 0.83 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |