Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL669771 | 0.78 | ALDH1A1 (0.38) | ALDH1A1POLBGAAKDM4ELMNA | |
| SCHEMBL9452868 | 0.78 | ESR1 (0.54) | TSHRSLC6A4SLC6A3SLC6A2ALDH1A1 | |
| SCHEMBL13028943 | 0.78 | CYP3A4 (0.39) | SLC6A4SLC6A3SLC6A2ALDH1A1GAA | |
| SCHEMBL6478646 | 0.78 | TRPA1 (0.39) | TRPA1TSHRRIPK1ALDH1A1AKR1C3 | |
| SCHEMBL11421716 | 0.78 | TRPA1 (0.39) | TRPA1TSHRRIPK1SLC6A3ALDH1A1 | |
| SCHEMBL6396781 | 0.78 | TSHR (0.44) | TRPA1TSHRRIPK1ALDH1A1AKR1C3 | |
| SCHEMBL2954114 | 0.77 | MIF (0.42) | RIPK1SLC6A4SLC6A3SLC6A2ATM | |
| SCHEMBL5551309 | 0.77 | RIPK1 (0.39) | RIPK1SLC6A4SLC6A3SLC6A2ATM | |
| SCHEMBL11614503 | 0.77 | TSHR (0.46) | TRPA1TSHRALDH1A1AKR1C3AKR1C1 | |
| SCHEMBL1021030 | 0.77 | TSHR (0.46) | TRPA1TSHRALDH1A1LMNA |
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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| CN-109053491-A | Synthetic method of the acaricide cyflumetofen intermediate to tert-butyl benzene acetonitrile | 山东省农药科学研究院 | 2018-12-21 | — | — | CN | claimed |
| 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 | claimed |
| CN-105801484-B | A kind of preparation method of pyrazolyl acrylonitrile compound | 沈阳中化农药化工研发有限公司 | 2018-08-07 | — | — | CN | claimed |
| CN-106116998-B | A kind of stereoselective syntheses (Z) -2,4- bis- replaces the method for -2- butylene nitrile compounds | 华南理工大学 | 2018-06-19 | — | — | CN | claimed |
| CN-104725270-B | Method for preparing butylphenylacetonitrile | 江西吉翔医药化工有限公司 | 2017-01-18 | — | — | CN | claimed |
| CN-106116998-A | A kind of method of stereoselective syntheses (Z) 2,4 two replacement 2 butene nitrile compounds | 华南理工大学 | 2016-11-16 | — | — | CN | claimed |
| CN-105801484-A | Preparation method of pyrazolyl acrylonitrile compound | 沈阳中化农药化工研发有限公司 | 2016-07-27 | — | — | CN | claimed |
| EP-1523543-A1 | IMPROVEMENTS IN OR RELATING TO PERFUME COMPOSITIONS | Quest International Services B.V. (NL) | 2005-04-20 | — | — | EP | claimed |
| WO-2004009750-A1 | IMPROVEMENTS IN OR RELATING TO PERFUME COMPOSITIONS | QUEST INTERNATIONAL SERVICES B.V. (NL) | 2004-01-29 | — | — | WO | claimed |
| CN-113831240-A | Production method of methyl p-tert-butyl phenylacetate | 滕州市天水生物科技有限公司 | 2021-12-24 | — | — | CN | disclosed |
| CN-110026244-A | The α catalyst for alkylation reaction of nitrile and its application | 郑州大学 | 2019-07-19 | — | — | CN | disclosed |
| CN-110003111-A | A kind of preparation method of 2- aryl -3- ether -3- pyrazoles acrylonitrile compound | 浙江省化工研究院有限公司 | 2019-07-12 | — | — | 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-106857557-B | A kind of Synergistic mite killing composition of the mite of pyrrole containing nitrile ester | 西华大学 | 2019-04-02 | — | — | CN | disclosed |
| EP-1523543-A1 | IMPROVEMENTS IN OR RELATING TO PERFUME COMPOSITIONS | Quest International Services B.V. (NL) | 2005-04-20 | — | — | EP | disclosed |
| WO-2004009750-A1 | IMPROVEMENTS IN OR RELATING TO PERFUME COMPOSITIONS | QUEST INTERNATIONAL SERVICES B.V. (NL) | 2004-01-29 | — | — | WO | disclosed |
| EP-0253501-A2 | N-disubstituted cycloalkylmethyl amines useful as fungicides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-01-20 | — | — | EP | disclosed |
| US-4459224-A | Perfume compositions as well as perfumed articles and materials containing alkyl substituted benzyl cyanides as a fragrance | NAARDEN INTERNATIONAL N.V. (NL) | 1984-07-10 | — | — | US | disclosed |
| EP-0062368-A1 | Perfume compositions as well as perfumed products containing alkyl substituted benzyl cyanides as a fragrance | NAARDEN INTERNATIONAL N.V. (NL) | 1982-10-13 | — | — | EP | disclosed |