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 | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RARB | P10826 | 4/20 | 0.42 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | RARA | P10276 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Dodecane SCHEMBL4945750 | 0.79 | CES2 (0.59) | CES2CES1NAAATP53TSHR | |
| Benzoic Acid SCHEMBL4951528 | 0.79 | CES2 (0.59) | CES2CES1NAAATP53TSHR | |
| SCHEMBL8915089 | 0.79 | PRKCA (0.44) | — | |
| SCHEMBL7344383 | 0.79 | PRKCA (0.44) | — | |
| SCHEMBL7351075 | 0.79 | PRKCA (0.44) | — | |
| SCHEMBL7344379 | 0.79 | PRKCA (0.44) | — | |
| SCHEMBL4980804 | 0.79 | PRKCA (0.44) | — | |
| SCHEMBL7343605 | 0.79 | PRKCA (0.44) | — | |
| SCHEMBL8990176 | 0.79 | PRKCA (0.44) | — | |
| SCHEMBL7348308 | 0.79 | PRKCA (0.44) | — |
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-5677155-A | Process for preparing the sex pheromone of Lymantria dispar L | NITTO DENKO CO., LTD. (JP) | 1997-10-14 | — | — | US | disclosed |