Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.48 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 4/20 | 0.46 |
| ▸ | ACP1 | P24666 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9738569 | 0.88 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9739561 | 0.87 | PDE4A (0.52) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9738116 | 0.86 | ADORA2A (0.60) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9739040 | 0.84 | PDE4A (0.52) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9738563 | 0.84 | CDK1 (0.55) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9738222 | 0.82 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9739343 | 0.81 | YTHDC1 (0.68) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9738722 | 0.81 | ADORA2A (0.48) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9475371 | 0.79 | CNR2 (0.51) | ADORA2ACNR2ALDH1A1ADORA1 | |
| SCHEMBL27580729 | 0.77 | CDK1 (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B |
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 |
|---|---|---|---|---|---|---|---|
| US-5110818-A | Antiepileptic agents | CIBA-GEIGY CORPORATION (US) | 1992-05-05 | — | — | US | disclosed |
| EP-0363320-A2 | Substituted 9H purine | CIBA-GEIGY AG (CH) | 1990-04-11 | — | — | EP | disclosed |