Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | PDE1A | P54750 | 1/20 | 0.39 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.39 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 13/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL150604 | 0.81 | PDE1A (0.54) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL14142760 | 0.71 | ADORA2B (0.57) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL387340 | 0.68 | ADORA2B (0.55) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL6381402 | 0.66 | ADORA2B (0.36) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL9031176 | 0.66 | ADORA2B (0.44) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL6033611 | 0.65 | ADORA2B (0.52) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL10535020 | 0.65 | ADORA2B (0.47) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL516430 | 0.62 | PDE2A (0.44) | PDE2APDE1APDE1BPDE1CADORA2B | |
| Acetic Acid SCHEMBL28746161 | 0.62 | ADORA2B (0.52) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL6363706 | 0.61 | ADORA1 (0.48) | ADORA2BADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108699028-A | It is substituted 4- phenylpyridine compounds as non-systemic TGR5 agonists | 阿德利克斯公司 | 2018-10-23 | — | — | CN | disclosed |