Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2874734 | 0.72 | ALDH1A1 (0.47) | ALDH1A1KDM4EPOLBHSP90AA1 | |
| SCHEMBL22614909 | 0.72 | KDM4E (0.35) | ALDH1A1KDM4EPOLBHSP90AA1 | |
| SCHEMBL13591803 | 0.65 | KDM4E (0.54) | ALDH1A1KDM4EPOLBHSP90AA1 | |
| SCHEMBL8310396 | 0.59 | ATIC (0.33) | — | |
| SCHEMBL9766381 | 0.59 | DYRK1A (0.38) | ALDH1A1KDM4EPOLBHSP90AA1 | |
| SCHEMBL24496130 | 0.56 | HRH4 (0.34) | — | |
| SCHEMBL30698038 | 0.56 | GRM5 (0.40) | ALDH1A1 | |
| SCHEMBL30698015 | 0.56 | GRM5 (0.40) | ALDH1A1 | |
| 2-Aminopurine SCHEMBL29901502 | 0.54 | ALDH1A1 (0.48) | ALDH1A1KDM4ERXFP1 | |
| 2-Aminopurine SCHEMBL5634 | 0.54 | ALDH1A1 (1.00) | ALDH1A1KDM4ERXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020223469-A1 | N-(1-(METHYLSULFONYL)PIPERIDIN-4-YL)-4,5-DI HYDRO-1H-IMIDAZO[4,5-H]QUINAZOLIN-8-AMINE DERIVATIVES AND RELATED COMPOUNDS AS CYCLIN-DEPENDENT KINASE 2 (CDK2) INHIBITORS FOR TREATING CANCER | INCYTE CORPORATION (US) | 2020-11-05 | — | — | WO | disclosed |