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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 5/20 | 0.53 |
| ▸ | CES1 | P23141 | 5/20 | 0.53 |
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL27280874 | 0.82 | CES2 (0.56) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL2569611 | 0.81 | CA2 (0.57) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL7731878 | 0.81 | CA2 (0.57) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL27926598 | 0.81 | CA2 (0.57) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL27945433 | 0.81 | CA2 (0.57) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL28696691 | 0.81 | CA2 (0.52) | CA2CA4CES2CES1NAAA | |
| Tetrabuthylammonium SCHEMBL23045178 | 0.80 | CA2 (0.55) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL11240577 | 0.80 | CA2 (0.55) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL50603 | 0.80 | CA2 (0.55) | CA2CA4CES2CES1NAAA | |
| Tetrapentylammonium SCHEMBL237498 | 0.80 | CA2 (0.55) | CA2CA4CES2CES1NAAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015200739-A1 | BIODEGRADABLE POLYLACTIC ACID RESIN COMPOSITION WITH EXCELLENT HEAT RESISTANCE AND ARTICLE MANUFACTURED THEREFROM | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2015-12-30 | — | — | WO | disclosed |