Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 20/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 19/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 17/20 | 0.79 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL3839846 | 1.00 | PGR (0.79) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3824027 | 0.87 | PGR (0.81) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3822419 | 0.83 | PGR (1.00) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3820311 | 0.83 | PGR (1.00) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3028597 | 0.81 | PGR (0.68) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3037659 | 0.80 | PGR (0.67) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3821495 | 0.80 | PGR (0.85) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3821500 | 0.80 | PGR (0.85) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3032383 | 0.80 | PGR (0.81) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL14162317 | 0.79 | PGR (0.83) | 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 |