Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL24886370 | 0.85 | MAPKAPK2 (0.39) | ALDH1A1CDK2MAPKAPK2GRM5 | |
| SCHEMBL2966822 | 0.81 | ALDH1A1 (0.32) | ALDH1A1CDK2MAPKAPK2CSNK1A1CLK4 | |
| SCHEMBL24367881 | 0.81 | CDK2 (0.33) | CDK2CSNK1A1CLK4 | |
| SCHEMBL26127401 | 0.80 | MAPKAPK2 (0.35) | ALDH1A1CDK2MAPKAPK2 | |
| SCHEMBL24323977 | 0.80 | TLR7 (0.38) | ALDH1A1CDK2MAPKAPK2 | |
| SCHEMBL30588906 | 0.80 | MAPKAPK2 (0.35) | ALDH1A1CDK2MAPKAPK2 | |
| SCHEMBL31526504 | 0.78 | — | — | |
| SCHEMBL26122570 | 0.76 | — | — | |
| SCHEMBL4424103 | 0.76 | CSNK1A1 (0.46) | ALDH1A1CDK2MAPKAPK2CSNK1A1CLK4 | |
| SCHEMBL18050635 | 0.76 | CDK2 (0.35) | ALDH1A1CDK2MAPKAPK2CSNK1A1CLK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3310779-B1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2019-05-08 | — | — | EP | disclosed |