Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.65 |
| ▸ | TNF | P01375 | 5/20 | 0.65 |
| ▸ | PDE4A | P27815 | 5/20 | 0.65 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.65 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.65 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.65 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.65 |
| ▸ | ACHE | P22303 | 2/20 | 0.65 |
| ▸ | USP2 | O75604 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.65 |
| ▸ | BLM | P54132 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9842796 | 0.97 | PDE4A (0.71) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL9842814 | 0.93 | PDE4A (0.58) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL9842846 | 0.88 | PDE4A (0.57) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL9842620 | 0.87 | ADORA2B (0.68) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL9842777 | 0.84 | PDE4A (0.62) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL7793093 | 0.84 | PDE4A (0.73) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL9842769 | 0.84 | PDE4A (0.67) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL9842893 | 0.83 | PDE4A (0.66) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL9842825 | 0.83 | PDE4A (0.66) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL9842813 | 0.83 | PDE4A (0.66) | ADORA2BTNFPDE4APDE4BPDE4C |
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-0430025-A2 | Xanthine compound, method for preparing thereof, and a pharmaceutical composition comprising the same | HOKURIKU PHARMACEUTICAL CO., LTD. (JP) | 1991-06-05 | — | — | EP | disclosed |