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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.62 |
| ▸ | CES1 | P23141 | 3/20 | 0.62 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.61 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.59 |
| ▸ | PPARG | P37231 | 7/20 | 0.59 |
| ▸ | PPARD | Q03181 | 7/20 | 0.59 |
| ▸ | PPARA | Q07869 | 7/20 | 0.59 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.59 |
| ▸ | TSHR | P16473 | 5/20 | 0.59 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | TLR2 | O60603 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | FABP4 | P15090 | 2/20 | 0.59 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.59 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | PDE4A | P27815 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Palmitic Acid SCHEMBL28142160 | 0.98 | CES2 (0.64) | CES2CES1AKR1B1GPR84PPARG | |
| Octanoic Acid SCHEMBL6051069 | 0.98 | CES2 (0.64) | CES2CES1AKR1B1GPR84PPARG | |
| Undecanoate SCHEMBL28229896 | 0.98 | CES2 (0.64) | CES2CES1AKR1B1GPR84PPARG | |
| Stearic Acid SCHEMBL23588 | 0.98 | CES2 (0.64) | CES2CES1AKR1B1GPR84PPARG | |
| Decanoic Acid SCHEMBL10943211 | 0.98 | CES2 (0.64) | CES2CES1AKR1B1GPR84PPARG | |
| Heptanoate SCHEMBL5788520 | 0.98 | CES2 (0.64) | CES2CES1AKR1B1GPR84PPARG | |
| Stearic Acid SCHEMBL11515603 | 0.96 | CES2 (0.62) | CES2CES1AKR1B1GPR84PPARG | |
| Behenic Acid SCHEMBL8991157 | 0.96 | CES2 (0.62) | CES2CES1AKR1B1GPR84PPARG | |
| Stearic Acid SCHEMBL6546194 | 0.96 | CES2 (0.62) | CES2CES1AKR1B1GPR84PPARG | |
| Stearic Acid SCHEMBL5271197 | 0.96 | CES2 (0.62) | CES2CES1AKR1B1GPR84PPARG |
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-108546223-B | Process for the manufacture of nitriles and their corresponding amines | 中国石化扬子石油化工有限公司 | 2022-02-11 | — | — | CN | claimed |
| CN-108164381-B | Process for the manufacture of nitriles and their corresponding amines | 中国石化扬子石油化工有限公司 | 2022-02-11 | — | — | CN | claimed |
| CN-112574060-B | Recovery method of N, N-dimethylacetamide | 中国石油化工股份有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-108546223-B | Process for the manufacture of nitriles and their corresponding amines | 中国石化扬子石油化工有限公司 | 2022-02-11 | — | — | CN | disclosed |
| CN-108164381-B | Process for the manufacture of nitriles and their corresponding amines | 中国石化扬子石油化工有限公司 | 2022-02-11 | — | — | CN | disclosed |
| CN-112574060-A | Method for recovering N, N-dimethylacetamide | 中国石油化工股份有限公司 | 2021-03-30 | — | — | CN | disclosed |
| CN-106318370-A | Photochromic optical product and method for preparing same | 温州富奇士光电材料有限公司 | 2017-01-11 | — | — | CN | disclosed |
| CN-1286694-A | Novel 19-norsteroid compounds substituted in position 11 beta, process and intermediates for their preparation, their use as medicaments and pharmaceutical compositions containing them | HOECHST MARION ROUSSEL INC (FR) | 2001-03-07 | — | — | CN | disclosed |
| US-4521348-A | Phosphorus-containing cyanohydrine derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-06-04 | — | — | US | disclosed |