Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT2 | P31751 | 6/20 | 0.44 |
| ▸ | PRKACA | P17612 | 4/20 | 0.44 |
| ▸ | PRKACG | P22612 | 3/20 | 0.44 |
| ▸ | PRKACB | P22694 | 3/20 | 0.44 |
| ▸ | NEK2 | P51955 | 4/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | MARK3 | P27448 | 1/20 | 0.38 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30495981 | 1.00 | AKT2 (0.44) | AKT2PRKACAPRKACGPRKACBNEK2 | |
| SCHEMBL29761041 | 0.81 | AKT2 (0.43) | AKT2PRKACAPRKACGPRKACBNEK2 | |
| SCHEMBL3670084 | 0.74 | CYP3A4 (0.43) | NEK2CDC7DBF4LRRK2HSP90AB1 | |
| SCHEMBL30255027 | 0.74 | CYP3A4 (0.43) | NEK2CDC7DBF4LRRK2HSP90AB1 | |
| SCHEMBL29761049 | 0.73 | AKT2 (0.46) | AKT2PRKACAPRKACGPRKACBNEK2 | |
| SCHEMBL29761043 | 0.71 | CDC7 (0.47) | AKT2PRKACAPRKACGPRKACBNEK2 | |
| SCHEMBL29761017 | 0.69 | LRRK2 (0.45) | AKT2PRKACAPRKACGPRKACBNEK2 | |
| SCHEMBL29761088 | 0.69 | MTOR (0.50) | AKT2PRKACAPRKACGPRKACB | |
| SCHEMBL1607122 | 0.66 | PI4KA (0.52) | AKT2PRKACANEK2CDC7DBF4 | |
| SCHEMBL1797432 | 0.65 | HSD11B1 (0.35) | NEK2LRRK2HSP90AB1CHEK1RPS6KA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116425756-A | Adenosine receptor antagonist compounds and uses thereof | 日东制药株式会社 | 2023-07-14 | — | — | CN | disclosed |