Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 17/20 | 0.80 |
| ▸ | PDE4D | Q08499 | 15/20 | 0.80 |
| ▸ | PDE4A | P27815 | 9/20 | 0.80 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.80 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.80 |
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 SCHEMBL18095182 | 0.89 | PDE4B (1.00) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| Roflumilast SCHEMBL19158 | 0.89 | PDE4B (1.00) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| Roflumilast SCHEMBL29349467 | 0.89 | PDE4B (1.00) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| Roflumilast SCHEMBL29033058 | 0.88 | PDE4B (0.98) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| Roflumilast SCHEMBL28150332 | 0.88 | PDE4B (0.98) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| Roflumilast SCHEMBL29039838 | 0.88 | PDE4B (0.98) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| SCHEMBL13837351 | 0.88 | PDE4B (0.80) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| Roflumilast SCHEMBL20677818 | 0.87 | PDE4B (0.96) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| Roflumilast SCHEMBL29191360 | 0.87 | PDE4B (0.96) | PDE4BPDE4DPDE4APDE4CABCB11 | |
| SCHEMBL12649313 | 0.87 | PDE4B (0.79) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007123699-A1 | METHODS AND COMPOSITIONS FOR MODULATING MELANOGENESIS BY USING A MCLR AGONIST | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2007-11-01 | — | — | WO | disclosed |
| EP-1289961-A1 | FLUOROALKOXY-SUBSTITUTED BENZAMIDE DICHLOROPYRIDINYL N-OXIDE PDE4 INHIBITOR | Merck Frosst Canada & Co. (CA) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001090076-A1 | FLUOROALKOXY-SUBSTITUTED BENZAMIDE DICHLOROPYRIDINYL N-OXIDE PDE4 INHIBITOR | MERCK FROSST CANADA & CO. (CA) | 2001-11-29 | — | — | WO | disclosed |