Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 20/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL959494 | 1.00 | HSD11B1 (0.57) | HSD11B1CYP3A4CYP2C9 | |
| SCHEMBL3646283 | 1.00 | HSD11B1 (0.57) | HSD11B1CYP3A4CYP2C9 | |
| SCHEMBL3641057 | 0.89 | HSD11B1 (0.66) | HSD11B1CYP3A4CYP2C9 | |
| SCHEMBL957997 | 0.89 | HSD11B1 (0.66) | HSD11B1CYP3A4CYP2C9 | |
| SCHEMBL955435 | 0.89 | HSD11B1 (0.66) | HSD11B1CYP3A4CYP2C9 | |
| SCHEMBL3642941 | 0.89 | HSD11B1 (0.66) | HSD11B1CYP3A4CYP2C9 | |
| SCHEMBL3640463 | 0.89 | HSD11B1 (0.66) | HSD11B1CYP3A4CYP2C9 | |
| SCHEMBL3646953 | 0.87 | HSD11B1 (0.60) | HSD11B1CYP3A4CYP2C9 | |
| SCHEMBL3640077 | 0.87 | HSD11B1 (0.60) | HSD11B1CYP3A4CYP2C9 | |
| SCHEMBL3645984 | 0.87 | HSD11B1 (0.60) | HSD11B1CYP3A4CYP2C9 |
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-2183228-A1 | CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 | Vitae Pharmaceuticals, Inc. (US) | 2010-05-12 | — | — | EP | claimed |
| WO-2009017664-A1 | CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. (US) | 2009-02-05 | — | — | WO | claimed |