Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 19/20 | 0.52 |
| ▸ | PDE4A | P27815 | 5/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.51 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.44 |
| ▸ | TACR3 | P29371 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29895373 | 0.89 | PDE4B (0.64) | PDE4BPDE4APDE4CPDE4DPDE7A | |
| SCHEMBL17570898 | 0.89 | PDE4B (0.64) | PDE4BPDE4APDE4CPDE4DPDE7A | |
| SCHEMBL20429656 | 0.87 | PDE4B (0.54) | PDE4BPDE4APDE4CPDE4DPDE7A | |
| SCHEMBL18671554 | 0.87 | PDE4B (0.54) | PDE4BPDE4APDE4CPDE4DPDE7A | |
| SCHEMBL18872920 | 0.87 | PDE4B (0.54) | PDE4BPDE4APDE4CPDE4DPDE7A | |
| SCHEMBL18872625 | 0.86 | PDE4B (0.49) | PDE4BPDE4APDE4CPDE4DPDE7A | |
| SCHEMBL20429649 | 0.86 | PDE4B (0.49) | PDE4BPDE4APDE4CPDE4DPDE7A | |
| SCHEMBL17559315 | 0.82 | PDE4B (0.55) | PDE4BPDE4APDE4CPDE4DPDE7A | |
| SCHEMBL19229992 | 0.81 | PDE4B (0.54) | PDE4BTACR3 | |
| SCHEMBL19275958 | 0.79 | PDE4B (0.64) | PDE4BPDE4APDE4CPDE4DTACR3 |
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-3189044-B1 | CRYSTALLINE (2S)-3-[(3S,4S)-3-[(1R)-1-HYDROXYETHYL]-4-(4-METHOXY-3-{[1-(5-METHYLPYRIDIN-2-YL)AZETIDIN-3-YL]OXY}PHENYL) -3-METHYLPYRROLIDIN-1-YL]-3-OXOPROPANE-1,2-DIOL | LILLY CO ELI (US) | 2018-08-01 | — | — | EP | disclosed |