Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 9/20 | 0.35 |
| ▸ | VEGFA | P15692 | 4/20 | 0.34 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL4581362 | 0.94 | CYP3A4 (0.48) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 | |
| SCHEMBL4580827 | 0.92 | CYP3A4 (0.54) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 | |
| SCHEMBL3666833 | 0.91 | CYP3A4 (0.54) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 | |
| SCHEMBL14040281 | 0.88 | CYP3A4 (0.63) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 | |
| SCHEMBL3664392 | 0.87 | CYP3A4 (0.52) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 | |
| SCHEMBL3662046 | 0.87 | CYP3A4 (0.49) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 | |
| SCHEMBL12798198 | 0.86 | CYP3A4 (0.48) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 | |
| SCHEMBL4581132 | 0.85 | CYP3A4 (0.47) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 | |
| SCHEMBL12798213 | 0.85 | CYP3A4 (0.34) | CYP3A4KCNH2 | |
| SCHEMBL4807848 | 0.84 | CYP3A4 (0.63) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008119662-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-09 | — | — | WO | disclosed |