Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | THRA | P10827 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 2/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | MARK3 | P27448 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5373907 | 0.89 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL14570716 | 0.89 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5372639 | 0.89 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5370521 | 0.89 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5373619 | 0.89 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL14570776 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5366810 | 0.86 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5377219 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5377555 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5370387 | 0.81 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 |
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 2 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 |