Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.55 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.55 |
| ▸ | CDK2 | P24941 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | ACP1 | P24666 | 1/20 | 0.50 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9738574 | 0.84 | ADORA2A (0.66) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL9739343 | 0.84 | YTHDC1 (0.68) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9738444 | 0.84 | YTHDC1 (0.56) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9738722 | 0.84 | ADORA2A (0.48) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9739898 | 0.84 | PDE4A (0.51) | ADORA2AHSP90AA1HSP90AB1PDE4APDE4B | |
| SCHEMBL1640041 | 0.83 | PDE4A (0.69) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL11813045 | 0.82 | ADORA2A (0.70) | ADORA2AACP1ADORA1PI4KAPI4K2B | |
| SCHEMBL9739774 | 0.82 | ADORA2A (0.55) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4358828 | 0.81 | CDK1 (0.51) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL3273415 | 0.80 | ADORA2A (0.78) | ADORA2AADORA1 |
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 |