Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 2/20 | 0.32 |
| ▸ | HRH1 | P35367 | 2/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27930049 | 1.00 | ALDH1A1 (0.35) | ALDH1A1KDM4EGAAKCNA3OPRK1 | |
| SCHEMBL27678892 | 1.00 | ALDH1A1 (0.35) | ALDH1A1KDM4EGAAKCNA3OPRK1 | |
| SCHEMBL8860719 | 0.87 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAALTA4HHRH2 | |
| SCHEMBL28153635 | 0.87 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAALTA4HHRH2 | |
| SCHEMBL28139131 | 0.87 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAALTA4HHRH2 | |
| SCHEMBL27650078 | 0.86 | KDM4E (0.37) | ALDH1A1KDM4EGAAKCNA3 | |
| SCHEMBL12635248 | 0.83 | PDCD1 (0.38) | OPRK1PDCD1CD274OPRM1OPRD1 | |
| SCHEMBL12635247 | 0.83 | PDCD1 (0.38) | OPRK1PDCD1CD274OPRM1OPRD1 | |
| SCHEMBL13887594 | 0.83 | PDCD1 (0.38) | OPRK1PDCD1CD274OPRM1OPRD1 | |
| SCHEMBL27880307 | 0.80 | — | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109328187-A | A kind of new compound and its preparation and application with FGFR inhibitory activity | 中国科学院上海药物研究所 | 2019-02-12 | — | — | CN | disclosed |
| CN-105612153-B | Substituted heterocyclic sulfonamide compound as TRPA1 conditioning agents | 豪夫迈·罗氏有限公司 | 2018-09-14 | — | — | CN | disclosed |
| CN-104918939-B | Purine inhibitors of human phosphatidylinositol 3-kinase | 默沙东公司 | 2018-08-28 | — | — | CN | disclosed |
| CN-105130959-B | Pyrimidine derivatives PIM kinase inhibitors and preparation method thereof and the application in pharmacy | 上海吉铠医药科技有限公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-108368056-A | Trypanosome inhibitor | 豪夫迈·罗氏有限公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-108295073-A | Multi-fluorinated compounds are as bruton's tyrosine kinase inhibitor | 浙江导明医药科技有限公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-108250200-A | A kind of compound and its preparation and application with Axl inhibitory activity | 中国科学院上海药物研究所 | 2018-07-06 | — | — | CN | disclosed |
| CN-108137541-A | For being used as the pyridone diformamide of bromine structural domain inhibitor | 葛兰素史克知识产权第二有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-106061976-B | Polyfluoro compounds as bruton's tyrosine kinase inhibitors | 浙江导明医药科技有限公司 | 2018-05-15 | — | — | CN | disclosed |
| CN-107912040-A | Pyrrolidine Amide Compounds As Histone Demethylase Inhibitors | 基因泰克公司 | 2018-04-13 | — | — | CN | disclosed |
| CN-103958478-B | Bicyclic dihydroisoquinolin-1-one derivatives | 霍夫曼-拉罗奇有限公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-105073733-B | Kinases inhibitor | 奥赖恩公司 | 2017-06-27 | — | — | CN | disclosed |
| CN-106795120-A | New pyridine radicals epoxide and phenyl epoxide pyrazolyl compounds | 豪夫迈·罗氏有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-106715419-A | Aminotriazine derivatives as TANK-binding kinase inhibitor compounds | 吉利德科学公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-104447707-B | Hepatitis c virus inhibitors | 百时美施贵宝公司 | 2017-04-12 | — | — | CN | disclosed |
| CN-103930416-B | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | 默克专利股份公司 | 2017-03-29 | — | — | CN | disclosed |
| CN-106061976-A | Polyfluoro compounds as bruton's tyrosine kinase inhibitors | 浙江导明医药科技有限公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-101558059-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2014-12-03 | — | — | CN | disclosed |
| CN-103429581-A | Polycyclic derivatives, preparation method and medical uses thereof | JIANGSU HENGRUI MEDICINE CO | 2013-12-04 | — | — | CN | disclosed |
| CN-101558059-A | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-10-14 | — | — | CN | disclosed |