Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 11/20 | 0.55 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.52 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8688901 | 0.87 | PDE4A (0.51) | PDE4AS1PR1S1PR3PDE4DPDE4B | |
| SCHEMBL27548932 | 0.83 | PDE4A (0.49) | PDE4AS1PR1S1PR3PDE4DPDE4B | |
| SCHEMBL1389060 | 0.81 | ALDH1A1 (0.68) | PDE4AS1PR1S1PR3PDE4DPDE4B | |
| SCHEMBL1388171 | 0.81 | ALDH1A1 (0.68) | PDE4AS1PR1S1PR3PDE4DPDE4B | |
| SCHEMBL1388172 | 0.81 | ALDH1A1 (0.68) | PDE4AS1PR1S1PR3PDE4DPDE4B | |
| SCHEMBL4162772 | 0.81 | PDE4A (0.55) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8483493 | 0.79 | PDE4A (0.65) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8462529 | 0.78 | PDE4A (0.52) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8462530 | 0.78 | PDE4A (0.52) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL5818764 | 0.78 | PDE4A (0.76) | PDE4AS1PR1S1PR3PDE4DPDE4B |
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 |
|---|---|---|---|---|---|---|---|
| CN-102892765-A | Novel cyclohexylamine derivatives having beta 2 adrenergic agonist and M3 muscarinic antagonist activity | ALMIRALL SA | 2013-01-23 | — | — | CN | disclosed |