Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 4/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | FPR1 | P21462 | 13/20 | 0.36 |
| ▸ | FPR2 | P25090 | 9/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL20177566 | 0.86 | PDE4A (0.37) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL19559455 | 0.81 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL16785337 | 0.81 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL19559475 | 0.79 | PDE4A (0.39) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL20177816 | 0.79 | PDE4A (0.39) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL20177572 | 0.79 | PDE4A (0.39) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL19559411 | 0.78 | FPR1 (0.49) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL18117795 | 0.78 | FPR1 (0.49) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL20177585 | 0.78 | PDE4A (0.41) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL20177660 | 0.77 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DTSHR |
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-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |