Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Benzaldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL28179933 | 1.00 | ALDH1A1 (0.70) | ALDH1A1CYP2A6KMT2ALMNATRPA1 | |
| Benzaldehyde SCHEMBL28288709 | 0.89 | ALDH1A1 (0.61) | ALDH1A1CYP2A6KMT2ALMNATRPA1 | |
| Benzaldehyde SCHEMBL7947262 | 0.87 | — | — | |
| Benzaldehyde SCHEMBL11862136 | 0.85 | ALDH1A1 (0.56) | ALDH1A1CYP2A6KMT2ALMNATRPA1 | |
| Benzaldehyde SCHEMBL1330097 | 0.84 | — | — | |
| Benzaldehyde SCHEMBL10051945 | 0.84 | — | — | |
| Benzaldehyde SCHEMBL6061133 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP2A6KMT2ALMNATRPA1 | |
| Benzaldehyde SCHEMBL22400699 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP2A6KMT2ALMNATRPA1 | |
| Benzaldehyde SCHEMBL573 | 0.84 | — | — | |
| Benzaldehyde SCHEMBL896024 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP2A6KMT2ALMNATRPA1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107235962-B | A kind of enhanced fluorescence probe, preparation method and application based on naphthalimide | 上海出入境检验检疫局工业品与原材料检测技术中心 | 2019-05-31 | — | — | CN | claimed |
| CN-107235962-A | A kind of enhanced fluorescence probe, its preparation method and application based on naphthalimide | 上海出入境检验检疫局工业品与原材料检测技术中心 | 2017-10-10 | — | — | CN | claimed |
| CN-109251189-B | 3-piperazinyl chalcone derivatives, pharmaceutical compositions thereof and application thereof | 华东理工大学 | 2020-10-02 | — | — | CN | disclosed |
| CN-107235962-B | A kind of enhanced fluorescence probe, preparation method and application based on naphthalimide | 上海出入境检验检疫局工业品与原材料检测技术中心 | 2019-05-31 | — | — | CN | disclosed |
| CN-109251189-A | 3 piperazinyl chalcone derivatives, its pharmaceutical composition and its application | 华东理工大学 | 2019-01-22 | — | — | CN | disclosed |
| CN-107235962-A | A kind of enhanced fluorescence probe, its preparation method and application based on naphthalimide | 上海出入境检验检疫局工业品与原材料检测技术中心 | 2017-10-10 | — | — | CN | disclosed |
| CN-107235962-A | A kind of enhanced fluorescence probe, its preparation method and application based on naphthalimide | 上海出入境检验检疫局工业品与原材料检测技术中心 | 2017-10-10 | — | — | CN | disclosed |
| CN-102481243-B | Cosmetic composition, cosmetic, method for producing oil-in-water emulsion cosmetic, and two-layer separation type cosmetic | 日清奥利友集团株式会社 | 2016-06-15 | — | — | CN | disclosed |
| CN-105534733-A | Sun-screening cosmetic | FUJIFILM CORP | 2016-05-04 | — | — | CN | disclosed |
| CN-102481243-A | Cosmetic composition, cosmetic, method for producing oil-in-water emulsion cosmetic, and two-layer separation type cosmetic | NISSHIN OILLIO GROUP LTD | 2012-05-30 | — | — | CN | disclosed |