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 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 5/20 | 0.51 |
| ▸ | CES1 | P23141 | 5/20 | 0.51 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 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 SCHEMBL2569611 | 0.80 | CA2 (0.57) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL7731878 | 0.80 | CA2 (0.57) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL27926598 | 0.80 | CA2 (0.57) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL17375794 | 0.80 | CA2 (0.57) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL27945433 | 0.80 | CA2 (0.57) | CA2CA4CES2CES1NAAA | |
| Tetrabuthylammonium SCHEMBL23045178 | 0.79 | CA2 (0.55) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL50603 | 0.79 | CA2 (0.55) | CA2CA4CES2CES1NAAA | |
| Tetrapentylammonium SCHEMBL237498 | 0.79 | CA2 (0.55) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL406195 | 0.79 | CA2 (0.55) | CA2CA4CES2CES1NAAA | |
| Tetrabuthylammonium SCHEMBL108878 | 0.79 | 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 |
|---|---|---|---|---|---|---|---|
| US-4324885-A | QUATERNARY AMMONIUM OR PHOSPHONIUM CATALYST | GENERAL ELECTRIC COMPANY (US) | 1982-04-13 | — | — | US | disclosed |