Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21747572 | 0.73 | CCNK (0.43) | AAK1GPBAR1 | |
| Methane SCHEMBL28807375 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL31047937 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL27813944 | 0.63 | — | — | |
| SCHEMBL20538688 | 0.62 | KDM4E (0.31) | — | |
| SCHEMBL21747522 | 0.61 | CCNK (0.43) | AAK1GPBAR1 | |
| SCHEMBL29031079 | 0.61 | PTGS2 (0.32) | — | |
| SCHEMBL8964693 | 0.61 | CNR2 (0.33) | — | |
| SCHEMBL23125453 | 0.59 | PKM (0.52) | — | |
| SCHEMBL28816642 | 0.59 | — | — |
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-108727363-B | Novel cyclin dependent kinase CDK9 inhibitor | 劲方医药科技(上海)有限公司 | 2020-06-19 | — | — | CN | disclosed |