Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | RRM1 | P23921 | 1/20 | 0.33 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.33 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.30 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.30 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | LRRK2 | Q5S007 | 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 | |
|---|---|---|---|---|
| SCHEMBL14570777 | 0.92 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19CHRM2CHRM1 | |
| SCHEMBL5377154 | 0.92 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2C19CHRM2CHRM1 | |
| SCHEMBL5366810 | 0.88 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19CHRM2CHRM1 | |
| SCHEMBL5374165 | 0.87 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19CHRM2CHRM1 | |
| SCHEMBL5668069 | 0.87 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5370521 | 0.86 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19SLC5A2AR | |
| SCHEMBL5377646 | 0.86 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19SLC5A2AR | |
| SCHEMBL5376896 | 0.84 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19SLC5A2AR | |
| SCHEMBL5375519 | 0.83 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19SLC5A2HTR2A | |
| SCHEMBL5377555 | 0.81 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CHRM2CHRM1 |
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 |