Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 14/20 | 0.72 |
| ▸ | ADORA2A | P29274 | 12/20 | 0.72 |
| ▸ | PDE4A | P27815 | 11/20 | 0.72 |
| ▸ | PDE4B | Q07343 | 11/20 | 0.72 |
| ▸ | PDE4C | Q08493 | 11/20 | 0.72 |
| ▸ | PDE4D | Q08499 | 11/20 | 0.72 |
| ▸ | PDE2A | O00408 | 2/20 | 0.55 |
| ▸ | PDE1A | P54750 | 2/20 | 0.55 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.55 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.55 |
| ▸ | CFTR | P13569 | 2/20 | 0.52 |
| ▸ | PDE5A | O76074 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | SCN1A | P35498 | 1/20 | 0.52 |
| ▸ | PDE6C | P51160 | 1/20 | 0.52 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11073850 | 0.89 | ADORA2B (0.78) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL10339736 | 0.86 | ADORA2A (0.74) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL516503 | 0.85 | ADORA2B (1.00) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL9429985 | 0.81 | PDE4A (0.85) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL7597430 | 0.77 | ADORA2B (0.82) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL4623640 | 0.76 | ADORA2A (0.76) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL5405285 | 0.76 | ADORA2A (0.86) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL10013824 | 0.74 | CYP3A4 (0.59) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL10013807 | 0.74 | CYP3A4 (0.59) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL8350764 | 0.72 | PDE4A (0.77) | ADORA2BADORA2APDE4APDE4BPDE4C |
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-4089959-A | Long-acting xanthine bronchodilators and antiallergy agents | COOPER LABORATORIES, INC. (US) | 1978-05-16 | — | — | US | disclosed |