Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13560574 | 0.92 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19MEP1BEPAS1 | |
| SCHEMBL13560437 | 0.86 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19MEP1BEPAS1 | |
| SCHEMBL13560602 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19MEP1BEPAS1 | |
| SCHEMBL13560541 | 0.85 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19MEP1BEPAS1 | |
| SCHEMBL13560504 | 0.83 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19MEP1BEPAS1 | |
| SCHEMBL13560557 | 0.81 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19EPAS1 | |
| SCHEMBL3017479 | 0.81 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19MEP1BEPAS1 | |
| SCHEMBL5373280 | 0.80 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19MEP1BEPAS1 | |
| SCHEMBL13560474 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19MEP1BEPAS1 | |
| SCHEMBL13560459 | 0.79 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19MEP1BEPAS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8304419-B2 | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2012-11-06 | — | — | US | disclosed |