Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL28809015 | 0.92 | KCNH2 (0.61) | KCNH2SIGMAR1CHRM2ADRA2ACHRM1 | |
| Butylbenzyl SCHEMBL10925942 | 0.91 | SIGMAR1 (0.57) | KCNH2SIGMAR1CHRM2HTR1AADRA2A | |
| Butylbenzyl SCHEMBL16051 | 0.89 | SIGMAR1 (0.59) | KCNH2SIGMAR1CHRM2HTR1AADRA2A | |
| Butylbenzyl SCHEMBL22716183 | 0.89 | SIGMAR1 (0.59) | KCNH2SIGMAR1CHRM2HTR1AADRA2A | |
| Butylbenzyl SCHEMBL3229215 | 0.89 | SIGMAR1 (0.59) | KCNH2SIGMAR1CHRM2HTR1AADRA2A | |
| Trimethylammonium SCHEMBL9308974 | 0.87 | KCNH2 (0.60) | KCNH2SIGMAR1CHRM2ADRA2ACHRM1 | |
| Butylbenzyl SCHEMBL27503925 | 0.86 | SIGMAR1 (0.53) | KCNH2SIGMAR1CHRM2HTR1AADRA2A | |
| Butylbenzyl SCHEMBL363180 | 0.86 | SIGMAR1 (0.57) | KCNH2SIGMAR1CHRM2HTR1AADRA2A | |
| Butylbenzyl SCHEMBL9545214 | 0.86 | SIGMAR1 (0.57) | KCNH2SIGMAR1CHRM2HTR1AADRA2A | |
| Butylbenzyl SCHEMBL7713579 | 0.86 | SIGMAR1 (0.57) | KCNH2SIGMAR1CHRM2HTR1AADRA2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112808217-A | Raw material mixing equipment for preparing p-tert-butyl phenylacetonitrile | 昂吉(上海)环保新材料科技有限公司 | 2021-05-18 | — | — | CN | claimed |
| CN-112915564-A | Crude p-tert-butyl phenylacetonitrile distillation purification equipment | 昂吉(上海)环保新材料科技有限公司 | 2021-06-08 | — | — | CN | disclosed |
| CN-112808217-A | Raw material mixing equipment for preparing p-tert-butyl phenylacetonitrile | 昂吉(上海)环保新材料科技有限公司 | 2021-05-18 | — | — | CN | disclosed |
| CN-109553577-A | A kind of pyrazole compound and preparation method and application | 西安近代化学研究所 | 2019-04-02 | — | — | CN | disclosed |
| CN-106336891-B | A method of for reducing the composition of hydrocarbon ils tenor and its application and a kind of reduction hydrocarbon ils tenor | 中国石油化工股份有限公司 | 2018-08-28 | — | — | CN | disclosed |
| CN-106336891-A | Composition used for reducing hydrocarbon oil metal content and its application and method for reducing hydrocarbon oil metal content | 中国石油化工股份有限公司 | 2017-01-18 | — | — | CN | disclosed |
| CN-106187937-A | Acrylonitrile compound and preparation method and application | 湖南化工研究院有限公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-103342662-B | Method for synthesizing 2-alkylphenylacetonitrile | NANTONG GOOD IDEA CHEMICAL TECHNOLOGY CO LTD | 2015-01-14 | — | — | CN | disclosed |
| CN-103342662-A | Method for synthesizing 2-alkylphenylacetonitrile | NANTONG GOOD IDEA CHEMICAL TECHNOLOGY CO LTD | 2013-10-09 | — | — | CN | disclosed |