Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of (-)-Rolipram. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 20/20 | 0.67 |
| ▸ | PDE4B known ✓ | Q07343 | 11/20 | 0.67 |
| ▸ | PDE4C known ✓ | Q08493 | 11/20 | 0.67 |
| ▸ | PDE4D known ✓ | Q08499 | 11/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | VEGFA | P15692 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | PDE5A | O76074 | 1/20 | 0.62 |
| ▸ | TNF | P01375 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | PDE1A | P54750 | 1/20 | 0.62 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| S-Rolipram SCHEMBL7398826 | 1.00 | PDE4A (0.67) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL7366920 | 0.93 | PDE4A (0.77) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL3546000 | 0.84 | PDE4A (0.77) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL7366341 | 0.84 | PDE4A (0.77) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL3545466 | 0.84 | PDE4A (0.77) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL7366334 | 0.84 | PDE4A (0.72) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL7398758 | 0.81 | PDE4A (0.64) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL3547968 | 0.81 | PDE4A (0.84) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL3547495 | 0.81 | PDE4A (0.84) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL5222151 | 0.81 | PDE4A (0.84) | PDE4APDE4BPDE4CPDE4DCYP3A4 |
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-1992019594-A1 | PYRROLIDINONES | SMITHKLINE BEECHAM CORPORATION (US) | 1992-11-12 | — | — | WO | disclosed |