Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 4/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | CNOT7 | Q9UIV1 | 9/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | PARN | O95453 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21861608 | 0.91 | TRPA1 (0.53) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL10696644 | 0.88 | ADORA2B (0.65) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL10696193 | 0.86 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL11078954 | 0.82 | ADORA2B (0.48) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL21861597 | 0.82 | TRPA1 (0.59) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL9350776 | 0.81 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL9350658 | 0.80 | CNOT7 (0.43) | PDE4APDE4BPDE4CPDE4DCNOT7 | |
| SCHEMBL10696123 | 0.77 | PDE4A (0.76) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL661486 | 0.76 | CNOT7 (0.47) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL7318570 | 0.75 | GDA (0.55) | 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 1 patent. 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 | disclosed |