Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 6/20 | 0.71 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.71 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.71 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.71 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.71 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.71 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10694979 | 0.93 | PDE4A (0.84) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL10694974 | 0.93 | PDE4A (0.84) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL9682937 | 0.86 | TRPA1 (0.65) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL10696123 | 0.85 | PDE4A (0.76) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL10694067 | 0.85 | SMN1; SMN2 (0.67) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| Denbufylline SCHEMBL127152 | 0.83 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| Denbufylline SCHEMBL7299526 | 0.83 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| Denbufylline SCHEMBL11044404 | 0.82 | PDE4A (0.97) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL10872056 | 0.81 | PDE4A (0.95) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL7323464 | 0.80 | PDE4A (0.93) | PDE4APDE4BPDE4CPDE4DADORA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0260127-A2 | Xanthine derivatives, their preparation and pharmaceutical compositions containing them | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1988-03-16 | — | — | EP | claimed |
| EP-0260127-A2 | Xanthine derivatives, their preparation and pharmaceutical compositions containing them | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1988-03-16 | — | — | EP | disclosed |