Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 8/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 8/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7298765 | 0.82 | SMN1; SMN2 (0.53) | SMN1; SMN2L3MBTL1KEAP1NFE2L2TSHR | |
| SCHEMBL697566 | 0.81 | SMN1; SMN2 (0.73) | SMN1; SMN2L3MBTL1KEAP1NFE2L2TSHR | |
| SCHEMBL702692 | 0.79 | KEAP1 (0.68) | L3MBTL1KEAP1NFE2L2ESR1ALDH1A1 | |
| SCHEMBL1732616 | 0.79 | SMN1; SMN2 (0.49) | SMN1; SMN2TSHRESR1POLBNR4A1 | |
| SCHEMBL23859846 | 0.77 | RORC (0.46) | L3MBTL1CA2ESR1 | |
| SCHEMBL6671262 | 0.77 | HSP90AA1 (0.59) | SMN1; SMN2L3MBTL1KEAP1NFE2L2TSHR | |
| Water SCHEMBL27995895 | 0.76 | CA2 (0.44) | L3MBTL1TSHRCA2CA1ESR1 | |
| SCHEMBL3376825 | 0.76 | ESR1 (0.54) | SMN1; SMN2L3MBTL1TSHRCA2ESR1 | |
| SCHEMBL27701625 | 0.74 | CA2 (0.62) | L3MBTL1TSHRCA2CA1ESR1 | |
| SCHEMBL27283527 | 0.74 | ESR1 (0.53) | SMN1; SMN2L3MBTL1TSHRCA2ESR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104321060-B | Alpha-amino boronic acid derivative, selective immunoproteasome inhibitor | 阿雷斯贸易股份有限公司 | 2018-08-07 | — | — | CN | disclosed |
| CN-105209445-B | The method for treating dyskinesia and associated conditions | 梅利奥尔制药II有限责任公司 | 2018-01-23 | — | — | CN | disclosed |
| CN-107108660-A | Boronic acid derivatives | 默克专利股份公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-107074885-A | Boronic acid derivatives | 默克专利股份公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-104080773-B | Nitrogen heterocyclic | 默克专利股份公司 | 2016-12-28 | — | — | CN | disclosed |