Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28153635 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EPOLBTSHRHPGD | |
| SCHEMBL28139131 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EPOLBTSHRHPGD | |
| SCHEMBL27678892 | 0.87 | ALDH1A1 (0.35) | ALDH1A1KDM4EGAAHRH2HRH1 | |
| SCHEMBL27780419 | 0.87 | ALDH1A1 (0.35) | ALDH1A1KDM4EGAAHRH2HRH1 | |
| SCHEMBL27930049 | 0.87 | ALDH1A1 (0.35) | ALDH1A1KDM4EGAAHRH2HRH1 | |
| SCHEMBL12735191 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KDM4EPOLBTSHRHPGD | |
| SCHEMBL12226454 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KDM4EPOLBTSHRHPGD | |
| SCHEMBL12226455 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KDM4EPOLBTSHRHPGD | |
| SCHEMBL28097027 | 0.83 | TSHR (0.36) | ALDH1A1KDM4ETSHRHTTGAA | |
| SCHEMBL13104457 | 0.78 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102746305-A | Inhibitors of bruton's tyrosine kinase | PHARMACYCLICS INC | 2012-10-24 | — | — | CN | claimed |
| 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-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-105593232-B | Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors | 华北制药集团新药研究开发有限责任公司 | 2018-06-26 | — | — | 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-108112251-A | NRF2 conditioning agents | 葛兰素史克知识产权发展有限公司 | 2018-06-01 | — | — | 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-105777759-B | A kind of bruton's tyrosine kinase inhibitor | 杭州和正医药有限公司 | 2018-01-26 | — | — | CN | disclosed |
| CN-107531668-A | Therapeutic pyridazine compound and application thereof | 基因泰克公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-107513068-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 | 2017-12-26 | — | — | CN | disclosed |
| CN-105008344-B | Bruton's tyrosine kinase inhibitor | 辉瑞公司 | 2017-07-25 | — | — | CN | disclosed |
| CN-106905320-A | It is a kind of to be adapted to medicinal replace Buddhist nun and its preparation according to Shandong | 杭州容立医药科技有限公司 | 2017-06-30 | — | — | CN | disclosed |
| CN-105102449-B | Antiviral compound | 豪夫迈·罗氏有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-106715440-A | Imidazo isoindole derivative, preparation method therefor and medical use thereof | 江苏恒瑞医药股份有限公司 | 2017-05-24 | — | — | 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-105593232-A | Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors | NORTH CHINA PHARMACEUTICAL NEW DRUG R & D CO LTD | 2016-05-18 | — | — | CN | disclosed |
| CN-1863530-A | (3,4-phenyl)piperidin-3-yl- phenylcarboxylate derivatives and related compounds as beta-secretase inhibitors for the treatment of alzheimer's disease | ELAN PHARM INC (US) | 2006-11-15 | — | — | CN | disclosed |
| US-5658926-A | ANTICOAGULANTS, ANTIHISTAMINES, ANTIARRHYTHMIC, CARTIOTONIC AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-08-19 | — | — | US | disclosed |
| US-5506239-A | Carbostyril derivative and platelets aggregation inhibitory agent | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-04-09 | — | — | US | disclosed |
| EP-0569592-A1 | CARBOSTYRIL DERIVATIVE AND PLATELET AGGLUTINATION INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-11-18 | — | — | EP | disclosed |