Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4302898 | 0.76 | TSHR (0.32) | TSHRTHRBMEN1KMT2A | |
| Tetradecane SCHEMBL27451386 | 0.63 | TSHR (0.47) | TSHRTHRBDNM1MEN1KMT2A | |
| SCHEMBL28202260 | 0.63 | TSHR (0.47) | TSHRTHRBDNM1MEN1KMT2A | |
| SCHEMBL27706945 | 0.63 | TSHR (0.47) | TSHRTHRBDNM1MEN1KMT2A | |
| SCHEMBL28236792 | 0.63 | TSHR (0.47) | TSHRTHRBDNM1MEN1KMT2A | |
| SCHEMBL28132819 | 0.63 | TSHR (0.47) | TSHRTHRBDNM1MEN1KMT2A | |
| SCHEMBL28145338 | 0.63 | TSHR (0.47) | TSHRTHRBDNM1MEN1KMT2A | |
| Nonane SCHEMBL28044830 | 0.63 | TSHR (0.47) | TSHRTHRBDNM1MEN1KMT2A | |
| Decane SCHEMBL27285858 | 0.63 | TSHR (0.47) | TSHRTHRBDNM1MEN1KMT2A | |
| SCHEMBL28246815 | 0.63 | TSHR (0.47) | TSHRTHRBDNM1MEN1KMT2A |
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-105294655-B | The compound and application thereof of CDK type small molecular inhibitor | 广东东阳光药业有限公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-105294655-A | CDK small-molecule inhibitor compounds and application therefore | GUANGDONG HEC PHARMACEUTICAL | 2016-02-03 | — | — | CN | disclosed |