Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 16/20 | 0.77 |
| ▸ | PDE4A | P27815 | 12/20 | 0.77 |
| ▸ | PDE4D | Q08499 | 12/20 | 0.77 |
| ▸ | PDE4C | Q08493 | 10/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.77 |
| ▸ | VEGFA | P15692 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.77 |
| ▸ | LMNA | P02545 | 1/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | MAPT | P10636 | 1/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.77 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.77 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.77 |
| ▸ | PDE5A | O76074 | 1/20 | 0.77 |
| ▸ | TNF | P01375 | 1/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.77 |
| ▸ | BLM | P54132 | 1/20 | 0.77 |
| ▸ | PDE1A | P54750 | 1/20 | 0.77 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.77 |
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 | |
|---|---|---|---|---|
| SCHEMBL14456035 | 0.99 | PDE4B (0.76) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| SCHEMBL14456036 | 0.88 | PDE4B (0.61) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| Rolipram SCHEMBL29360376 | 0.87 | PDE4A (1.00) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| S-Rolipram SCHEMBL29475409 | 0.87 | PDE4A (1.00) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| SCHEMBL30822622 | 0.87 | PDE4A (0.82) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| Rolipram SCHEMBL3719855 | 0.87 | PDE4A (1.00) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| (-)-Rolipram SCHEMBL29598924 | 0.87 | PDE4A (1.00) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| (-)-Rolipram SCHEMBL576805 | 0.87 | PDE4A (1.00) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| S-Rolipram SCHEMBL5321568 | 0.87 | PDE4A (1.00) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| SCHEMBL19248302 | 0.87 | PDE4A (0.82) | PDE4BPDE4APDE4DPDE4CCYP3A4 |
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-2010029299-A1 | PYRIMIDINONE DERIVATIES FOR USE AS MEDICAMENTS | BIOLIPOX AB (SE) | 2010-03-18 | — | — | WO | disclosed |