Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | RHEB | Q15382 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 3/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.35 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5385101 | 0.90 | DAO (0.38) | CYP3A4CYP2C9CYP2C19DAOAR | |
| SCHEMBL5373755 | 0.89 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19HTR2ASLC6A4 | |
| SCHEMBL5377568 | 0.84 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19HTR2ASLC6A4 | |
| SCHEMBL5375026 | 0.78 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19HTR2ASLC6A4 | |
| SCHEMBL5385763 | 0.78 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19DAOSLC5A2 | |
| SCHEMBL5373734 | 0.77 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19HTR2ASLC6A4 | |
| SCHEMBL5374494 | 0.74 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19HTR2ASLC6A4 | |
| SCHEMBL5365171 | 0.74 | CYP3A4 (0.49) | CYP3A4HTR2ASLC6A4KCNH2KDM4E | |
| SCHEMBL5372554 | 0.74 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19HTR2ASLC6A4 | |
| SCHEMBL5374482 | 0.73 | CYP3A4 (0.61) | CYP3A4HTR2ASLC6A4KCNH2AR |
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 |