Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HRH2 | P25021 | 2/20 | 0.46 |
| ▸ | HRH1 | P35367 | 2/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28305508 | 0.85 | KDM4E (0.48) | KDM4EALDH1A1HRH2HRH1CHRM3 | |
| SCHEMBL6418882 | 0.77 | HRH1 (0.54) | KDM4EALDH1A1HRH1MAPTTSHR | |
| SCHEMBL1332191 | 0.76 | HRH1 (0.53) | KDM4EALDH1A1HRH1MAPTTSHR | |
| SCHEMBL2930129 | 0.76 | ALDH1A1 (0.72) | KDM4EALDH1A1MAPTTSHRMAPK1 | |
| SCHEMBL29086855 | 0.75 | GNAI3 (0.53) | CHRM3KCNH2 | |
| Propionic Acid SCHEMBL28034332 | 0.72 | PTPRA (0.49) | KDM4EALDH1A1HRH1TSHRPOLB | |
| Propionic Acid SCHEMBL28363216 | 0.72 | PTPRA (0.49) | KDM4EALDH1A1HRH1TSHRPOLB | |
| Acetic Acid SCHEMBL31083905 | 0.72 | ALDH1A1 (0.53) | KDM4EALDH1A1HRH1TSHRPOLB | |
| Acetic Acid SCHEMBL3859492 | 0.72 | ALDH1A1 (0.53) | KDM4EALDH1A1HRH1TSHRPOLB | |
| Acetic Acid SCHEMBL1062315 | 0.72 | ALDH1A1 (0.53) | KDM4EALDH1A1HRH1TSHRPOLB |
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-109952295-A | A kind of CDK4/6 inhibitor and its preparation method and application | 江苏豪森药业集团有限公司 | 2019-06-28 | — | — | CN | disclosed |