Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5375519 | 0.92 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19KCNH2CYP2D6 | |
| SCHEMBL4274479 | 0.91 | CYP3A4 (0.86) | CYP3A4CYP2C9CYP2C19KCNH2CYP2D6 | |
| SCHEMBL5374302 | 0.88 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5382037 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19KCNH2CYP2D6 | |
| SCHEMBL4274657 | 0.86 | CYP3A4 (0.91) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5668069 | 0.85 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5374191 | 0.84 | CYP3A4 (0.75) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5376896 | 0.84 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL4272969 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5368425 | 0.84 | CYP3A4 (0.86) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |