Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 18/20 | 1.00 |
| ▸ | PDE4B | Q07343 | 18/20 | 1.00 |
| ▸ | PDE4C | Q08493 | 18/20 | 1.00 |
| ▸ | PDE4D | Q08499 | 18/20 | 1.00 |
| ▸ | ADORA2A | P29274 | 12/20 | 1.00 |
| ▸ | ADORA2B | P29275 | 8/20 | 1.00 |
| ▸ | PDE2A | O00408 | 1/20 | 0.69 |
| ▸ | PDE5A | O76074 | 1/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CFTR | P13569 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.69 |
| ▸ | SCN1A | P35498 | 1/20 | 0.69 |
| ▸ | PDE6C | P51160 | 1/20 | 0.69 |
| ▸ | PDE1A | P54750 | 1/20 | 0.69 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.69 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.69 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL1331789 | 0.91 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL515771 | 0.90 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL3177911 | 0.90 | PDE4A (0.92) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Ammonia Solution, Strong SCHEMBL10420651 | 0.89 | PDE4A (0.97) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL21381254 | 0.88 | PDE4A (0.89) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL4623455 | 0.88 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Water SCHEMBL27461178 | 0.88 | ADORA2A (0.97) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7460178 | 0.88 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL5400933 | 0.86 | PDE4A (0.91) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL21381259 | 0.85 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| JP-3220190-A | — | — | None | — | — | JP | disclosed |
| JP-H03220190-A | XANTHINE COMPOUND | HOKURIKU SEIYAKU CO LTD | 1991-09-27 | — | — | JP | disclosed |