Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | DAO | P14920 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4274479 | 0.91 | CYP3A4 (0.86) | CYP3A4CYP2C9CYP2C19SLC5A2HTR2A | |
| SCHEMBL5368877 | 0.89 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19SLC5A2LMNA | |
| SCHEMBL4274657 | 0.87 | CYP3A4 (0.91) | CYP3A4CYP2C9CYP2C19SLC5A2HTR2A | |
| SCHEMBL4272969 | 0.85 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5368425 | 0.85 | CYP3A4 (0.86) | CYP3A4CYP2C9CYP2C19SLC5A2HTR2A | |
| SCHEMBL5377687 | 0.84 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19SLC5A2 | |
| SCHEMBL5375519 | 0.83 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19SLC5A2HTR2A | |
| SCHEMBL4278760 | 0.83 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19SLC5A2 | |
| SCHEMBL5368624 | 0.83 | CYP3A4 (0.80) | CYP3A4CYP2C9CYP2C19SLC5A2HTR2A | |
| SCHEMBL5344677 | 0.82 | CYP3A4 (0.81) | 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 3 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 |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |