Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | S100A9 | P06702 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.31 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 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 | |
|---|---|---|---|---|
| SCHEMBL5374165 | 0.94 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5377154 | 0.94 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5376896 | 0.91 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5385352 | 0.87 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5370180 | 0.86 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5374191 | 0.84 | CYP3A4 (0.75) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL14570777 | 0.83 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5377555 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL4274657 | 0.82 | CYP3A4 (0.91) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5368624 | 0.82 | CYP3A4 (0.80) | 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 |