Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 3/20 | 0.41 |
| ▸ | CCND3 | P30281 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | CCNK | O75909 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CCND2 | P30279 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | F13A1 | P00488 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.37 |
| ▸ | TGM1 | P22735 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30449867 | 0.88 | ALK (0.41) | ALK | |
| SCHEMBL30449822 | 0.87 | JAK3 (0.41) | ALKCCND3ALDH1A1CDK4CCND1 | |
| SCHEMBL29390462 | 0.81 | MEN1 (0.36) | ALKCCND3CDK2CCNKCCNA2 | |
| SCHEMBL29091778 | 0.80 | GPR119 (0.46) | POLBLMNANPC1 | |
| SCHEMBL22900857 | 0.80 | ALDH1A1 (0.53) | ALKCCND3CDK2CCNKCCNA2 | |
| SCHEMBL29388013 | 0.76 | CDK2 (0.57) | CDK2 | |
| SCHEMBL28534357 | 0.73 | GPR119 (0.48) | POLB | |
| SCHEMBL28505081 | 0.72 | POLB (0.47) | ALDH1A1POLBLMNATSHRNPC1 | |
| SCHEMBL28505082 | 0.72 | POLB (0.47) | ALDH1A1POLBLMNATSHRNPC1 | |
| SCHEMBL14576345 | 0.72 | PTK2 (0.49) | CCND3CDK2CCNKCCNA2CDK9 |
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-116348458-A | Imidazolylpyrimidinylamine compounds as CDK2 inhibitors | 因赛特公司 | 2023-06-27 | — | — | CN | disclosed |