Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 20/20 | 0.83 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.79 |
| ▸ | AR | P10275 | 2/20 | 0.79 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.79 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.79 |
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 | |
|---|---|---|---|---|
| SCHEMBL3034272 | 1.00 | PGR (0.83) | PGRKCNH2CYP2D6CYP2C9AR | |
| SCHEMBL3028669 | 0.91 | PGR (1.00) | PGRKCNH2CYP2D6CYP2C9AR | |
| SCHEMBL3036368 | 0.91 | PGR (0.77) | PGRKCNH2CYP2D6CYP2C9AR | |
| SCHEMBL3033011 | 0.89 | PGR (1.00) | PGRKCNH2CYP2D6CYP2C9AR | |
| SCHEMBL3028164 | 0.89 | PGR (1.00) | PGRKCNH2CYP2D6CYP2C9AR | |
| SCHEMBL14489560 | 0.89 | PGR (1.00) | PGRKCNH2CYP2D6CYP2C9AR | |
| SCHEMBL3027924 | 0.88 | PGR (0.83) | PGRKCNH2CYP2D6CYP2C9AR | |
| SCHEMBL3028021 | 0.88 | PGR (0.82) | PGRKCNH2CYP2D6CYP2C9AR | |
| SCHEMBL3035580 | 0.87 | PGR (0.87) | PGRKCNH2CYP2D6CYP2C9AR | |
| SCHEMBL13123642 | 0.87 | PGR (0.69) | PGRKCNH2CYP2D6CYP2C9AR |
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-1954133-A2 | PYRROLIDINEANILINES | SMITHKLINE BEECHAM CORPORATION (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007065093-A2 | PYRROLIDINEANILINES | SMITHKLINE BEECHAM CORPORATION (US) | 2007-06-07 | — | — | WO | disclosed |