Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 16/20 | 0.83 |
| ▸ | IDH1 | O75874 | 6/20 | 0.56 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13600344 | 1.00 | HSD11B1 (0.83) | HSD11B1IDH1PDE4AHSD17B3PDE4B | |
| SCHEMBL12571575 | 1.00 | HSD11B1 (0.83) | HSD11B1IDH1PDE4AHSD17B3PDE4B | |
| SCHEMBL3246647 | 0.91 | HSD11B1 (1.00) | HSD11B1IDH1PDE4AHSD17B3PDE4B | |
| SCHEMBL3401273 | 0.91 | HSD11B1 (1.00) | HSD11B1IDH1PDE4AHSD17B3PDE4B | |
| SCHEMBL12571126 | 0.91 | HSD11B1 (1.00) | HSD11B1IDH1PDE4AHSD17B3PDE4B | |
| SCHEMBL2011249 | 0.91 | HSD11B1 (1.00) | HSD11B1IDH1PDE4AHSD17B3PDE4B | |
| SCHEMBL2008767 | 0.90 | HSD11B1 (0.82) | HSD11B1IDH1PDE4AHSD17B3PDE4B | |
| SCHEMBL12571564 | 0.90 | HSD11B1 (0.82) | HSD11B1IDH1PDE4AHSD17B3PDE4B | |
| SCHEMBL12571583 | 0.87 | HSD11B1 (0.83) | HSD11B1IDH1 | |
| SCHEMBL2006050 | 0.87 | HSD11B1 (0.83) | HSD11B1IDH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7964618-B2 | 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-3-piperidyl]acetic acid, for example; compounds possess human 11- beta-hydroxysteroid dehydrogenase type1 enzyme (11 beta HSD1) inhibitory activity and accordingly have value in treatment of disease states including metabolic syndrome | ASTRAZENECA AB (SE) | 2011-06-21 | — | — | US | disclosed |