Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | PDE2A | O00408 | 1/20 | 0.46 |
| ▸ | PDE1A | P54750 | 1/20 | 0.46 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.46 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.44 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL7758390 | 0.91 | PDE4A (0.59) | PDE4APDE4BPDE4CPDE4DPDE2A | |
| SCHEMBL7759760 | 0.78 | SIRT1 (0.52) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL3118639 | 0.77 | ADORA2B (0.47) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL7760152 | 0.77 | SIRT1 (0.59) | PDE4APDE4BPDE4CPDE4DPDE2A | |
| SCHEMBL3114744 | 0.76 | ADORA2B (0.48) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL4256241 | 0.75 | ADORA2B (0.46) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL4249558 | 0.75 | ADORA2B (0.49) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL7758379 | 0.74 | ADORA2B (0.52) | ADORA2BSIRT1SIRT3SIRT5ADORA2A | |
| SCHEMBL7759770 | 0.74 | SIRT1 (0.59) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL7759764 | 0.74 | SIRT1 (0.59) | PDE2APDE1APDE1BPDE1CADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-6187780-B1 | ANTIDEPRESSANTS, ANTIASTHMATIC AGENTS; MIGRAINE | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-02-13 | — | — | US | disclosed |