Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 4/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | RHEB | Q15382 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | PDE9A | O76083 | 1/20 | 0.34 |
| ▸ | PDE1A | P54750 | 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 | |
|---|---|---|---|---|
| SCHEMBL5374494 | 0.97 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19SLC5A2PARP1 | |
| SCHEMBL5365352 | 0.94 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19SLC5A2PARP1 | |
| SCHEMBL5377388 | 0.91 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19SLC5A2PARP1 | |
| SCHEMBL5368768 | 0.89 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19SLC5A2PARP1 | |
| SCHEMBL5375026 | 0.88 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19SLC5A2PARP1 | |
| SCHEMBL14570714 | 0.86 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19SLC5A2PARP1 | |
| SCHEMBL5385763 | 0.86 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19SLC5A2PARP1 | |
| SCHEMBL5421566 | 0.85 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19SLC5A2PARP1 | |
| SCHEMBL5372554 | 0.84 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SLC5A2PARP1 | |
| SCHEMBL14559746 | 0.83 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SLC5A2PARP1 |
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 |