Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CSF1R | P07333 | 7/20 | 0.42 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | TEK | Q02763 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28314032 | 0.87 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL28313260 | 0.87 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL28314110 | 0.83 | PARP1 (0.45) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL27597859 | 0.83 | HSD17B1 (0.50) | ALDH1A1KDM4EHPGDGLAGAA | |
| Diethylamine SCHEMBL28313244 | 0.80 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDMAPTPOLB | |
| SCHEMBL2322922 | 0.79 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL30716530 | 0.79 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL28726187 | 0.78 | IKBKB (0.42) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL22505571 | 0.78 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL30702373 | 0.77 | KDM4E (0.49) | ALDH1A1KDM4EHPGDGLAGAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110049969-A | Quinolines, preparation method and its medical usage | 恩瑞生物医药科技（上海）有限公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-109761899-A | Quinoline, its pharmaceutically acceptable salt or its solvate, its application, drug and pharmaceutical composition | 陆瑞燕 | 2019-05-17 | — | — | CN | disclosed |
| CN-106046007-B | Tyrosine kinase inhibitor and pharmaceutical composition comprising the tyrosine kinase inhibitor | 广东众生睿创生物科技有限公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-107683279-A | Tyrosine kinase inhibitor and pharmaceutical composition containing same | 广东众生药业股份有限公司 | 2018-02-09 | — | — | CN | disclosed |
| CN-107305202-A | The HPLC methods and impurity that analysis methanesulfonic acid pleasure is cut down for Buddhist nun and its preparation impurity make the purposes of reference standard | 北京睿创康泰医药研究院有限公司 | 2017-10-31 | — | — | CN | disclosed |
| CN-107266363-A | Methanesulfonic acid pleasure is cut down for the preparation method of Buddhist nun's impurity of the drug | 杭州华东医药集团新药研究院有限公司 | 2017-10-20 | — | — | CN | disclosed |