Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 8/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.31 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.31 |
| ▸ | CMA1 | P23946 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3637822 | 0.92 | CYP3A4 (0.37) | CYP3A4CYP2C9CYP2C19EPAS1PRSS1 | |
| SCHEMBL3640735 | 0.86 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19EPAS1PRSS1 | |
| SCHEMBL3639405 | 0.86 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19EPAS1PRSS1 | |
| SCHEMBL3638565 | 0.85 | CYP3A4 (0.39) | CYP3A4EPAS1S1PR3 | |
| SCHEMBL3639948 | 0.83 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2C19EPAS1PRSS1 | |
| SCHEMBL3642744 | 0.80 | CYP3A4 (0.41) | CYP3A4EPAS1 | |
| SCHEMBL3633795 | 0.80 | CYP3A4 (0.39) | CYP3A4EPAS1 | |
| SCHEMBL3637156 | 0.79 | CYP3A4 (0.40) | CYP3A4EPAS1S1PR3 | |
| SCHEMBL3640806 | 0.79 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19EPAS1RORC | |
| SCHEMBL3017479 | 0.77 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19EPAS1RORC |
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 |
|---|---|---|---|---|---|---|---|
| EP-2166856-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline LLC (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008154271-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-18 | — | — | WO | disclosed |