Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 13/20 | 0.50 |
| ▸ | CA2 | P00918 | 13/20 | 0.50 |
| ▸ | CA9 | Q16790 | 9/20 | 0.50 |
| ▸ | CA12 | O43570 | 8/20 | 0.50 |
| ▸ | CA7 | P43166 | 7/20 | 0.50 |
| ▸ | PLG | P00747 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 2/20 | 0.47 |
| ▸ | CA6 | P23280 | 2/20 | 0.47 |
| ▸ | CA5A | P35218 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28797061 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HTTKDM4ESMN1; SMN2TSHR | |
| SCHEMBL29064938 | 0.84 | KMT2A (0.47) | ALDH1A1HTTKDM4EMAPT | |
| SCHEMBL11572730 | 0.80 | ALDH1A1 (0.61) | ALDH1A1HTTCA1CA2CA9 | |
| SCHEMBL4976176 | 0.80 | KMT2A (0.48) | ALDH1A1HTTCA1CA2CA9 | |
| SCHEMBL20567459 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HTTCA1CA2CA9 | |
| SCHEMBL4965576 | 0.78 | KMT2A (0.49) | ALDH1A1HTTCA1CA2CA9 | |
| SCHEMBL14178044 | 0.78 | CA2 (0.53) | ALDH1A1HTTCA1CA2CA9 | |
| SCHEMBL27616394 | 0.78 | CA2 (0.58) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL9110029 | 0.78 | ELANE (0.44) | ALDH1A1HTTCA1CA2CA9 | |
| SCHEMBL4965413 | 0.77 | KMT2A (0.47) | ALDH1A1HTTCA1CA2CA9 |
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 |