Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | WDR5 | P61964 | 3/20 | 0.31 |
| ▸ | PARP1 | P09874 | 2/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14101745 | 0.89 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DNOTUM | |
| SCHEMBL4721339 | 0.89 | P2RX7 (0.37) | PDE4APDE4BPDE4CPDE4DNOTUM | |
| SCHEMBL4721343 | 0.89 | P2RX7 (0.37) | PDE4APDE4BPDE4CPDE4DNOTUM | |
| SCHEMBL14101882 | 0.85 | KDM4E (0.39) | PDE4APDE4BPDE4CPDE4DNOTUM | |
| SCHEMBL14101794 | 0.85 | PTGS2 (0.42) | PDE4APDE4BPDE4CPDE4DNOTUM | |
| SCHEMBL14101798 | 0.83 | PDE4A (0.38) | PDE4APDE4BPDE4CPDE4DNOTUM | |
| SCHEMBL14101706 | 0.83 | MAPT (0.38) | PDE4APDE4BPDE4CPDE4DNOTUM | |
| SCHEMBL14101895 | 0.82 | P2RX7 (0.38) | PDE4APDE4BPDE4CPDE4DNOTUM | |
| SCHEMBL14101796 | 0.82 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DNOTUM | |
| SCHEMBL14101790 | 0.80 | RORC (0.42) | PDE4APDE4BPDE4CPDE4DNOTUM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |