Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
| ▸ | PDE1A | P54750 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5368519 | 0.89 | CYP3A4 (0.41) | CYP3A4ARCYP2C9CYP2C19PARP1 | |
| SCHEMBL5385101 | 0.89 | DAO (0.38) | CYP3A4ARCYP2C9CYP2C19PARP1 | |
| SCHEMBL5374482 | 0.85 | CYP3A4 (0.61) | CYP3A4EPAS1ARPTGS1PRMT5 | |
| SCHEMBL5375026 | 0.77 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19PARP1HTR2A | |
| SCHEMBL5385763 | 0.77 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19PARP1PRMT5 | |
| SCHEMBL5374033 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19PARP1PRMT5 | |
| SCHEMBL5386226 | 0.77 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19PTGS1PRMT5 | |
| SCHEMBL5368939 | 0.76 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19PTGS1PRMT5 | |
| SCHEMBL5368691 | 0.75 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19PTGS1PARP1 | |
| SCHEMBL14570769 | 0.75 | CYP3A4 (0.53) | CYP3A4EPAS1CYP2C9CYP2C19PRMT5 |
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 |