Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 7/20 | 0.40 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL5372554 | 0.91 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19PARP1SLC5A2 | |
| SCHEMBL5385763 | 0.88 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19PARP1SLC5A2 | |
| SCHEMBL5375943 | 0.88 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19PARP1SLC5A2 | |
| SCHEMBL5375576 | 0.87 | PARP1 (0.39) | CYP3A4CYP2C9CYP2C19PARP1ADORA2A | |
| SCHEMBL5373478 | 0.87 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19PARP1SLC5A2 | |
| SCHEMBL5381953 | 0.87 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19PARP1ADORA2A | |
| SCHEMBL14570769 | 0.85 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19SLC5A2HTR2A | |
| SCHEMBL5364926 | 0.84 | CYP3A4 (0.54) | CYP3A4PARP1ADORA2AADORA1HTR2A | |
| SCHEMBL5375026 | 0.84 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19PARP1SLC5A2 | |
| SCHEMBL5373702 | 0.84 | PARP1 (0.45) | CYP3A4CYP2C9CYP2C19PARP1ADORA2A |
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 |