Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 20/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 20/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 18/20 | 0.71 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL3820608 | 1.00 | PGR (0.71) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL14162171 | 0.93 | PGR (0.70) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3822700 | 0.91 | PGR (0.62) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3827209 | 0.88 | PGR (0.68) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3827821 | 0.88 | PGR (0.68) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3842491 | 0.85 | PGR (0.81) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3826345 | 0.85 | PGR (0.90) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3842487 | 0.85 | PGR (0.81) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3029850 | 0.83 | PGR (0.78) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL14162332 | 0.83 | PGR (0.61) | PGRCYP2C9CYP2D6KCNH2 |
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-2094269-A1 | PYRROLIDINANILINES | Smithkline Beecham Corporation (US) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008077089-A1 | PYRROLIDINANILINES | SMITHKLINE BEECHAM CORPORATION (US) | 2008-06-26 | — | — | WO | disclosed |