Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.32 |
| ▸ | FEN1 | P39748 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | VRK1 | Q99986 | 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 | |
|---|---|---|---|---|
| SCHEMBL28774689 | 0.79 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2KDM4ELMNAGLA | |
| SCHEMBL20521503 | 0.78 | MAP4K4 (0.41) | ALDH1A1SMN1; SMN2KDM4ELMNAGLA | |
| SCHEMBL3758203 | 0.74 | KDM4E (0.52) | ALDH1A1SMN1; SMN2KDM4ELMNAGLA | |
| SCHEMBL410995 | 0.74 | KDM4E (0.40) | ALDH1A1SMN1; SMN2KDM4ELMNAGLA | |
| SCHEMBL7256787 | 0.74 | ADORA2A (0.46) | ADORA2A | |
| SCHEMBL15229110 | 0.74 | ADORA2B (0.44) | MAPTADORA2AADORA2B | |
| SCHEMBL412313 | 0.74 | AHR (0.43) | ALDH1A1LMNAHPGDMAPT | |
| SCHEMBL29235905 | 0.73 | PIK3CA (0.46) | ALDH1A1SMN1; SMN2KDM4EMAPTPOLB | |
| SCHEMBL30838827 | 0.73 | PIK3CA (0.46) | ALDH1A1SMN1; SMN2KDM4EMAPTPOLB | |
| SCHEMBL16116200 | 0.73 | CSNK1A1 (0.33) | ALDH1A1SMN1; SMN2L3MBTL1KMT2ACSNK1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109952295-B | CDK4/6 inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2021-04-06 | — | — | CN | disclosed |
| WO-2018045957-A1 | CDK4/6 INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏豪森药业集团有限公司 | 2018-03-15 | — | — | WO | disclosed |