Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 5/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SCD | O00767 | 2/20 | 0.34 |
| ▸ | CDK1 | P06493 | 3/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2951841 | 0.98 | PAK1 (0.55) | PAK1ALDH1A1KDM4ECDK2RXFP1 | |
| Hydrochloric Acid SCHEMBL6821631 | 0.97 | PAK1 (0.54) | PAK1ALDH1A1KDM4ECDK2RXFP1 | |
| SCHEMBL1375993 | 0.95 | PAK1 (0.51) | PAK1ALDH1A1KDM4ECDK2RXFP1 | |
| SCHEMBL31380702 | 0.84 | ALDH1A1 (0.45) | PAK1ALDH1A1KDM4ECDK2RXFP1 | |
| SCHEMBL4373728 | 0.80 | ALDH1A1 (0.44) | PAK1ALDH1A1KDM4ECDK2RXFP1 | |
| SCHEMBL2002538 | 0.77 | PAK1 (0.48) | PAK1ALDH1A1KDM4ECDK2RXFP1 | |
| SCHEMBL9854792 | 0.75 | ALDH1A1 (0.46) | PAK1ALDH1A1KDM4ECDK2RXFP1 | |
| SCHEMBL2388908 | 0.75 | PAK1 (0.46) | PAK1ALDH1A1KDM4ECDK2RXFP1 | |
| SCHEMBL15609525 | 0.74 | NUDT1 (0.37) | PAK1ALDH1A1KDM4EAURKAJAK2 | |
| SCHEMBL5872330 | 0.74 | PAK1 (0.45) | PAK1ALDH1A1KDM4ECDK2RXFP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109311882-B | Adenine derivatives as protein kinase inhibitors | BCI制药公司 | 2022-02-11 | — | — | CN | disclosed |
| CN-109311882-A | adenine derivatives as protein kinase inhibitors | BCI制药公司 | 2019-02-05 | — | — | CN | disclosed |
| EP-0181129-A2 | N6-substituted deoxyribose analogs of adenosines | WARNER-LAMBERT COMPANY (US) | 1986-05-14 | — | — | EP | disclosed |