Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28851605 | 0.85 | HTR2A (0.44) | HTR2AHTR2BCYP1A2MAPK1GPR3 | |
| SCHEMBL27949907 | 0.78 | HTR2A (0.36) | HTR2AGPR3ALDH1A1L3MBTL1 | |
| SCHEMBL6138419 | 0.78 | CYP3A4 (0.44) | HTR2AMAPK1LMNATP53CYP3A4 | |
| SCHEMBL27949913 | 0.78 | HTR2A (0.39) | HTR2AHTR2BCYP1A2MAPK1GPR3 | |
| SCHEMBL27440651 | 0.77 | HTR2A (0.41) | HTR2AHTR2BCYP1A2MAPK1GPR3 | |
| SCHEMBL28946044 | 0.76 | CYP19A1 (0.43) | HTR2AHTR2BGPR3MAPTALDH1A1 | |
| SCHEMBL19303899 | 0.76 | MEN1 (0.49) | HTR2AHTR2BCYP1A2MAPK1LMNA | |
| SCHEMBL18481976 | 0.76 | HTR2A (0.38) | HTR2AHTR2BCYP1A2MAPK1GPR3 | |
| SCHEMBL25171318 | 0.75 | LMNA (0.54) | HTR2AHTR2BCYP1A2MAPK1GPR3 | |
| SCHEMBL29370508 | 0.75 | LMNA (0.54) | HTR2AHTR2BCYP1A2MAPK1GPR3 |
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-109593064-A | Dithiocarbamates compound as BTK inhibitor | 北京信辰医药科技有限公司 | 2019-04-09 | — | — | CN | claimed |
| CN-108610343-A | A kind of epidermal growth factor receptor inhibitor and its synthetic method for treating cancer | 杨文思 | 2018-10-02 | — | — | CN | claimed |
| CN-105505128-B | Near-infrared light response self-repairing coating and preparation method thereof | 南京工业大学 | 2018-05-08 | — | — | CN | claimed |
| CN-109593064-A | Dithiocarbamates compound as BTK inhibitor | 北京信辰医药科技有限公司 | 2019-04-09 | — | — | CN | disclosed |
| CN-104918615-B | The method for treating hepatopathy | 扎夫根股份有限公司 | 2018-10-12 | — | — | CN | disclosed |
| CN-108610343-A | A kind of epidermal growth factor receptor inhibitor and its synthetic method for treating cancer | 杨文思 | 2018-10-02 | — | — | CN | disclosed |
| CN-104936959-B | 2,6, 9-trisubstituted purine derivative and preparation method and application thereof | 中国人民解放军军事医学科学院放射与辐射医学研究所 | 2018-09-18 | — | — | CN | disclosed |
| CN-108484705-A | A kind of Sinefungin analog and preparation method thereof | 中国医学科学院医药生物技术研究所 | 2018-09-04 | — | — | CN | disclosed |
| CN-108473472-A | 2-aminoquinazoline derivatives as P70S6 kinase inhibitors | 圣提内尔肿瘤学有限公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-105503730-B | Pyrazole derivatives and preparation method and application | 山东大学 | 2018-06-22 | — | — | CN | disclosed |
| CN-105026372-B | Histone demethylase inhibitors | 赛尔基因昆蒂赛尔研究公司 | 2018-06-05 | — | — | CN | disclosed |
| CN-105505128-B | Near-infrared light response self-repairing coating and preparation method thereof | 南京工业大学 | 2018-05-08 | — | — | CN | disclosed |
| CN-107739368-A | N substitutions 5（（The base of 4 substituted pyrimidines 2）Amino）Indole derivatives and its production and use | 厦门大学 | 2018-02-27 | — | — | CN | disclosed |
| CN-107417578-A | N (base of 3,5 dimethyladamantane 1) N ' substituted phenylurea compounds and its production and use | 沈阳海诺威医药科技有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-107344940-A | BTK inhibitor and application thereof | 广东东阳光药业有限公司 | 2017-11-14 | — | — | CN | disclosed |
| CN-104245675-B | Cyclic amides as MetAP-2 inhibitors | 默克专利股份公司 | 2017-10-13 | — | — | CN | disclosed |
| CN-107235852-A | A kind of method of synthesizing amide | 南京理工大学 | 2017-10-10 | — | — | CN | disclosed |
| CN-105085410-B | A kind of inhibitor of Diarylmiazines HIV 1 and preparation method thereof | 武汉工程大学 | 2017-10-10 | — | — | CN | disclosed |
| CN-106928252-A | A kind of compound of suppression ROCK and preparation method and application | 成都先导药物开发有限公司 | 2017-07-07 | — | — | CN | disclosed |
| CN-104936959-A | 2,6, 9-trisubstituted purine derivative and preparation method and application thereof | INST RADIATION MED AMMS PLA | 2015-09-23 | — | — | CN | disclosed |