Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL474705 | 0.92 | HSD11B1 (0.39) | PARP1HSD11B1PARP2CYP2D6CYP2B6 | |
| SCHEMBL474706 | 0.92 | HSD11B1 (0.39) | PARP1HSD11B1PARP2CYP2D6CYP2B6 | |
| SCHEMBL474767 | 0.83 | HSD11B1 (0.40) | PARP1HSD11B1PARP2CYP2D6CYP2B6 | |
| SCHEMBL209343 | 0.78 | HSD11B1 (0.54) | HSD11B1 | |
| SCHEMBL474674 | 0.77 | HSD11B1 (0.39) | PARP1HSD11B1PARP2CYP2D6CYP2B6 | |
| SCHEMBL474719 | 0.77 | HSD11B1 (0.39) | PARP1HSD11B1 | |
| SCHEMBL474673 | 0.77 | HSD11B1 (0.39) | PARP1HSD11B1PARP2CYP2D6CYP2B6 | |
| SCHEMBL474718 | 0.77 | HSD11B1 (0.39) | PARP1HSD11B1 | |
| SCHEMBL2995921 | 0.77 | HSD11B1 (0.41) | HSD11B1 | |
| SCHEMBL2993384 | 0.77 | HSD11B1 (0.41) | HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2049475-B1 | CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 | LILLY CO ELI (US) | 2012-02-01 | — | — | EP | disclosed |