Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.64 |
| ▸ | PDE4A | P27815 | 6/20 | 0.64 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.64 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.64 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.64 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL11217388 | 0.89 | PDE4A (0.67) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3737350 | 0.85 | ADORA2B (0.71) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5463102 | 0.81 | PDE4A (0.61) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10647729 | 0.81 | ADORA2B (0.61) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10696123 | 0.80 | PDE4A (0.76) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9160659 | 0.80 | ADORA2B (0.64) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| Butane SCHEMBL11041260 | 0.79 | PDE4A (0.74) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9350760 | 0.79 | PDE4A (0.62) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| Denbufylline SCHEMBL127152 | 0.78 | PDE4A (1.00) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| Denbufylline SCHEMBL7299526 | 0.78 | PDE4A (1.00) | ADORA2BPDE4APDE4BPDE4CPDE4D |
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-4451449-A | VASCULAR FLOW CONTROL AGENTS | Wuelfing, Johanna (DE) | 1984-05-29 | — | — | US | disclosed |