Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 20/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 15/20 | 0.80 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.80 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.80 |
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 | |
|---|---|---|---|---|
| SCHEMBL13218913 | 1.00 | PGR (0.80) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3031960 | 0.94 | PGR (0.81) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3031974 | 0.92 | PGR (0.77) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3025367 | 0.90 | PGR (0.77) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3029189 | 0.89 | PGR (0.86) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3033639 | 0.89 | PGR (1.00) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3039856 | 0.89 | PGR (0.75) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL13218910 | 0.88 | PGR (0.80) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3028203 | 0.87 | PGR (0.80) | PGRCYP2C9CYP2D6KCNH2 | |
| SCHEMBL3034841 | 0.87 | PGR (0.77) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007065093-A2 | PYRROLIDINEANILINES | SMITHKLINE BEECHAM CORPORATION (US) | 2007-06-07 | — | — | WO | disclosed |