Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 9/20 | 0.40 |
| ▸ | CCND1 | P24385 | 9/20 | 0.40 |
| ▸ | CCND2 | P30279 | 9/20 | 0.40 |
| ▸ | CCND3 | P30281 | 9/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.33 |
| ▸ | CDK1 | P06493 | 2/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.33 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.33 |
| ▸ | FGFR4 | P22455 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28658245 | 1.00 | CDK4 (0.40) | CDK4CCND1CCND2CCND3RAB9A | |
| SCHEMBL28643298 | 1.00 | CDK4 (0.40) | CDK4CCND1CCND2CCND3RAB9A | |
| SCHEMBL28653085 | 0.78 | CDK4 (0.35) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL28645958 | 0.76 | CDK4 (0.37) | CDK4CCND1CCND2CCND3ADORA2A | |
| SCHEMBL28926904 | 0.76 | PIK3CA (0.40) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL28927891 | 0.74 | CDK4 (0.35) | CDK4CCND1CCND2CCND3ADORA2A | |
| SCHEMBL28653087 | 0.74 | HDAC6 (0.41) | CDK4CCND1CCND2CCND3RAB9A | |
| SCHEMBL28662669 | 0.73 | CDK4 (0.37) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL20449069 | 0.73 | DYRK1A (0.47) | RAB9AADORA2AADORA2BADORA1MAPK1 | |
| SCHEMBL28662671 | 0.72 | CDK4 (0.37) | CDK4CCND1CCND2CCND3CCNB2 |
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-113387962-A | Pyrazolo [3,4-d ] pyrimidine-3-one derivative, pharmaceutical composition and application thereof | 上海迪诺医药科技有限公司 | 2021-09-14 | — | — | CN | disclosed |