Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Benzoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL3848714 | 1.00 | CA2 (0.41) | CA2CA4KDM4EALDH1A1HPGD | |
| Benzoic Acid SCHEMBL3848711 | 0.96 | KDM4E (0.39) | CA2CA4KDM4EALDH1A1HPGD | |
| Benzoic Acid SCHEMBL28939236 | 0.95 | HSP90AA1 (0.44) | KDM4EALDH1A1CES2CES1HTT | |
| Benzoic Acid SCHEMBL28733567 | 0.95 | HSP90AA1 (0.44) | KDM4EALDH1A1CES2CES1HTT | |
| Benzoic Acid SCHEMBL28733525 | 0.95 | HSP90AA1 (0.44) | KDM4EALDH1A1CES2CES1HTT | |
| Benzoic Acid SCHEMBL28733507 | 0.95 | HSP90AA1 (0.44) | KDM4EALDH1A1CES2CES1HTT | |
| Benzoic Acid SCHEMBL28733695 | 0.95 | HSP90AA1 (0.44) | KDM4EALDH1A1CES2CES1HTT | |
| Benzoic Acid SCHEMBL28733480 | 0.95 | HSP90AA1 (0.44) | KDM4EALDH1A1CES2CES1HTT | |
| Benzoic Acid SCHEMBL2523034 | 0.86 | CA2 (0.46) | CA2CA4ALDH1A1CES2CES1 | |
| SCHEMBL28733524 | 0.86 | CA1 (0.35) | CA2SMN1; SMN2PABPC1 |
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-116041711-A | Oligomeric phosphate polyol, catalytic synthesis method and application thereof | 广东顺德同程新材料科技有限公司 | 2023-05-02 | — | — | CN | claimed |
| CN-116448893-A | Characterization method of cellulose molecular weight | 中国科学院化学研究所 | 2023-07-18 | — | — | CN | disclosed |
| CN-114763675-A | Biomass composite material and preparation method and application thereof | 中国科学院化学研究所 | 2022-07-19 | — | — | CN | disclosed |
| CN-113025423-A | Method for removing fatty acid by ionic liquid | 丰益(上海)生物技术研发中心有限公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-110066345-B | Preparation method of polysaccharide ester | 中国科学院化学研究所 | 2020-07-14 | — | — | CN | disclosed |
| US-9157034-B2 | Denitrogenation of hydrocarbons by liquid-liquid extraction using ionic liquids | INSTITUTO MEXICANO DEL PETROLEO (MX) | 2015-10-13 | — | — | US | disclosed |
| US-8591757-B2 | Electrolyte composition and ionic liquid | KANEKA CORPORATION (JP) | 2013-11-26 | — | — | US | disclosed |
| US-20130026073-A1 | Denitrogenation of hydrocarbons by liquid-liquid extraction using ionic liquids | INSTITUTO MEXICANO DEL PETROLEO (MX) | 2013-01-31 | — | — | US | disclosed |
| US-20100213402-A1 | ELECTROLYTE COMPOSITION AND IONIC LIQUID | KANEKA CORPORATION (JP) | 2010-08-26 | — | — | US | disclosed |