Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.66 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.66 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.66 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.45 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5559147 | 0.90 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4DPOLB | |
| Hydrochloric Acid SCHEMBL9278006 | 0.89 | PDE4A (0.65) | PDE4APDE4BPDE4CPDE4DPOLB | |
| SCHEMBL5557953 | 0.88 | PDE4A (0.62) | PDE4APDE4BPDE4CPDE4DPOLB | |
| SCHEMBL7895376 | 0.85 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4DPOLB | |
| Hydrochloric Acid SCHEMBL5557061 | 0.82 | PDE4A (0.73) | PDE4APDE4BPDE4CPDE4DPOLB | |
| Elbimilast SCHEMBL1865431 | 0.80 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DPOLB | |
| SCHEMBL5552765 | 0.80 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4DPOLB | |
| SCHEMBL5557916 | 0.80 | PDE4A (0.68) | PDE4APDE4BPDE4CPDE4DPOLB | |
| Elbimilast SCHEMBL29372217 | 0.80 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DPOLB | |
| SCHEMBL5557018 | 0.80 | PDE4A (0.60) | PDE4APDE4BPDE4CPDE4DPOLB |
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-2012072727-A1 | CRYSTALLINE MODIFICATION OF N-(3,5-DICHLOROPYRIDIN-4-YL)-[1-(4 -FLUOROBENZYL)-7-AZAINDOL-3-YL)]GLYOXYLIC ACID AMIDE AS INHIBITOR OF PDE4 | BIOTIE THERAPIES GMBH (DE) | 2012-06-07 | — | — | WO | disclosed |