Predicted protein targets (top 20)
| 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 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
| ▸ | RAF1 | P04049 | 5/20 | 0.33 |
| ▸ | BRAF | P15056 | 5/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13806000 | 0.88 | UHRF1 (0.41) | UHRF1CCR1CCR5CCR8PIK3CA | |
| SCHEMBL13805993 | 0.84 | UHRF1 (0.38) | UHRF1CCR1CCR5CCR8PIK3CA | |
| SCHEMBL2220946 | 0.81 | SYK (0.38) | UHRF1CCR1CCR5CCR8PIK3CA | |
| SCHEMBL6884199 | 0.79 | OPRM1 (0.54) | CCR1CCR5CCR8PIK3CAKDM4E | |
| SCHEMBL23778454 | 0.78 | RAB9A (0.37) | PDE4APDE4BPDE4CPDE4DCCR1 | |
| SCHEMBL142383 | 0.77 | PRKCA (0.43) | PDE4APDE4BPDE4CPDE4DCCR1 | |
| SCHEMBL6888915 | 0.76 | ADRA1A (0.41) | PDE4APDE4BPDE4CPDE4DCCR1 | |
| Ethylene SCHEMBL3966670 | 0.75 | PRKCA (0.41) | PDE4APDE4BPDE4CPDE4DCCR1 | |
| SCHEMBL3973047 | 0.74 | VNN1 (0.33) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23798000 | 0.73 | PIK3CA (0.37) | CCR1CCR5CCR8PIK3CARAF1 |
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-3526207-B1 | HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. | HEPTARES THERAPEUTICS LTD (GB) | 2021-09-08 | — | — | EP | disclosed |