Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Roflumilast. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B known ✓ | Q07343 | 20/20 | 1.00 |
| ▸ | PDE4D known ✓ | Q08499 | 18/20 | 1.00 |
| ▸ | PDE4A known ✓ | P27815 | 8/20 | 1.00 |
| ▸ | PDE4C known ✓ | Q08493 | 8/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Roflumilast SCHEMBL19158 | 1.00 | PDE4B (1.00) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| Roflumilast SCHEMBL29349467 | 1.00 | PDE4B (1.00) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| Roflumilast SCHEMBL29033058 | 0.99 | PDE4B (0.98) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| Roflumilast SCHEMBL29039838 | 0.99 | PDE4B (0.98) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| Roflumilast SCHEMBL28150332 | 0.99 | PDE4B (0.98) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| Roflumilast SCHEMBL20677818 | 0.98 | PDE4B (0.96) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| Roflumilast SCHEMBL29191360 | 0.98 | PDE4B (0.96) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| SCHEMBL2885525 | 0.96 | PDE4B (0.93) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| SCHEMBL30084825 | 0.96 | PDE4B (0.93) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| SCHEMBL2887750 | 0.96 | PDE4B (0.92) | PDE4BPDE4DPDE4APDE4CABCB11 |
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-3270921-A1 | COMPOSITIONS AND METHODS FOR TREATING COPD AND OTHER INFLAMMATORY CONDITIONS | Georgia State University Research Foundation, Inc. (US) | 2018-01-24 | — | — | EP | disclosed |
| WO-2016154143-A1 | COMPOSITIONS AND METHODS FOR TREATING COPD AND OTHER INFLAMMATORY CONDITIONS | GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 2016-09-29 | — | — | WO | disclosed |