Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL27904965 | 0.91 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| Propionaldehyde SCHEMBL27544770 | 0.87 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPK1CYP2A6MAPT | |
| Propionaldehyde SCHEMBL27292974 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| Bromobenzene SCHEMBL27532115 | 0.82 | ALDH1A1 (0.58) | ALDH1A1TDP1MAPK1CYP2A6HTR2A | |
| Propionaldehyde SCHEMBL27544772 | 0.82 | ALDH1A1 (0.47) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| Bromobenzene SCHEMBL27542269 | 0.81 | ALDH1A1 (0.65) | ALDH1A1TDP1MAPK1CYP2A6HTR2A | |
| Bromobenzene SCHEMBL27392711 | 0.81 | ALDH1A1 (0.73) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| Biphenyl SCHEMBL27273593 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1TP53CYP2A6 | |
| Bromobenzene SCHEMBL8009691 | 0.78 | ALDH1A1 (0.69) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| Bromobenzene SCHEMBL27933094 | 0.78 | ALDH1A1 (0.69) | ALDH1A1TDP1MAPK1CYP2A6MAPT |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105175583-B | Acetophenones light trigger, preparation method and applications of one class with biphenyl as conjugated structure | 同济大学 | 2017-06-13 | — | — | CN | claimed |
| CN-103044921-B | Photo curable organopolysiloxane composition | 信越化学工业株式会社 | 2017-03-01 | — | — | CN | claimed |
| CN-110317207-A | A kind of Coumarin class compound synthesis and its application | 江苏大红鹰恒顺药业有限公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-109734613-A | Beta-amino α, α-difluoro ketone compounds synthetic method | 南京理工大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-108864003-A | A kind of preparation method of imrecoxib intermediate and imrecoxib | 江苏美迪克化学品有限公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-106560561-B | A kind of Slope of Open Pit Coal Mine administering method | 新疆工程学院 | 2018-11-20 | — | — | CN | disclosed |
| CN-108778476-A | Static mixer for continuous flow catalytic reactor | 联邦科学技术研究组织 | 2018-11-09 | — | — | CN | disclosed |
| CN-108250076-A | The method for synthesizing 3- difluoromethyls -3 acrylic acid ethyl ester compound | 上海贝通色彩科技有限公司 | 2018-07-06 | — | — | CN | disclosed |
| CN-104860937-B | Suppress the compound of function with beta-secretase, prepare method of the compound and application thereof | 北京大学 | 2018-02-06 | — | — | CN | disclosed |
| CN-107382998-A | A kind of fluorine-containing cumarin thiazole compound and its synthetic method | 河南农业大学 | 2017-11-24 | — | — | CN | disclosed |
| CN-106632059-A | N-naphthylalkyl-substituted N-containing heterocyclic derivatives, preparation method and anti-tumor application thereof | 中国药科大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-106632009-A | Preparation method of 2-amino-1-phenyl methylpyridine onium bromide | 山东友帮生化科技有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-106560561-A | Open pit coal mine slope treatment method | 新疆工程学院 | 2017-04-12 | — | — | CN | disclosed |
| CN-106256825-A | The synthetic method of his Wei of Dacca | 四川同晟生物医药有限公司 | 2016-12-28 | — | — | CN | disclosed |
| CN-104109123-B | For midbody compound synthesizing montelukast and preparation method thereof | 浙江奥翔药业股份有限公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-104860937-A | Compound capable of inhibiting beta-secretase, and preparation method and application thereof | UNIV BEIJING | 2015-08-26 | — | — | CN | disclosed |