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 | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 3/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.42 |
| ▸ | CTSG | P08311 | 2/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.41 |
| ▸ | CMA1 | P23946 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 5/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3761105 | 0.85 | ZDHHC7 (0.43) | PRSS1PRSS2PRSS3 | |
| Benzoic Acid SCHEMBL6262326 | 0.82 | PRSS1 (0.48) | PRSS1PRSS2PRSS3TP53TSHR | |
| Benzoic Acid SCHEMBL7920647 | 0.82 | PRSS1 (0.48) | PRSS1PRSS2PRSS3TP53TSHR | |
| SCHEMBL28321552 | 0.82 | PRSS1 (0.46) | PRSS1PRSS2PRSS3TP53TSHR | |
| SCHEMBL2903178 | 0.79 | ZDHHC7 (0.46) | — | |
| Benzoic Acid SCHEMBL27592496 | 0.76 | CES2 (0.47) | PRSS1TP53TSHRALDH1A1PLA2G4B | |
| SCHEMBL7180298 | 0.76 | TSHR (0.46) | PRSS1PRSS2PRSS3TSHRALDH1A1 | |
| Dodecane SCHEMBL4945750 | 0.75 | CES2 (0.59) | TP53TSHRALDH1A1PLA2G4BCES2 | |
| Benzoic Acid SCHEMBL4951528 | 0.75 | CES2 (0.59) | TP53TSHRALDH1A1PLA2G4BCES2 | |
| Benzoic Acid SCHEMBL9089056 | 0.75 | TSHR (0.64) | TP53TSHRALDH1A1PLA2G4BCES2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1713432-A2 | PHENYLETHYL BENZOATE FOR USE IN COSMETICS, TOILETRIES AND PERSONAL CARE PRODUCTS | FINETEX, INC. (US) | 2006-10-25 | — | — | EP | disclosed |
| US-20050288205-A1 | Phenylethyl benzoate for use in anti-perspirants and personal care products | FINETEX, INC. | 2005-12-29 | — | — | US | disclosed |
| WO-2005069822-A2 | PHENYLETHYL BENZOATE FOR USE IN COSMETICS, TOILETRIES AND PERSONAL CARE PRODUCTS | FINETEX, INC. (US) | 2005-08-04 | — | — | WO | disclosed |