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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | DAO | P14920 | 1/20 | 0.56 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5986325 | 0.86 | TSHR (0.55) | TSHRALDH1A1CYP3A4KMT2APGR | |
| SCHEMBL12922990 | 0.86 | TSHR (0.55) | TSHRALDH1A1CYP3A4KMT2APGR | |
| Benzoic Acid SCHEMBL28327607 | 0.80 | TSHR (0.78) | TSHRDAONAPRTALDH1A1CES2 | |
| Benzoic Acid SCHEMBL11650944 | 0.79 | TSHR (0.67) | TSHRDAONAPRTALDH1A1CYP3A4 | |
| Benzoic Acid SCHEMBL11352194 | 0.79 | TSHR (0.67) | TSHRDAONAPRTALDH1A1CYP3A4 | |
| Benzoic Acid SCHEMBL1913806 | 0.78 | TSHR (0.74) | TSHRDAONAPRTALDH1A1CES2 | |
| Benzoic Acid SCHEMBL7865148 | 0.78 | TSHR (0.74) | TSHRDAONAPRTALDH1A1CES2 | |
| Benzoic Acid SCHEMBL20450033 | 0.78 | TSHR (0.74) | TSHRDAONAPRTALDH1A1CES2 | |
| Benzoic Acid SCHEMBL5607281 | 0.78 | TSHR (0.74) | TSHRDAONAPRTALDH1A1CES2 | |
| Benzoic Acid SCHEMBL9273235 | 0.78 | TSHR (0.82) | TSHRDAONAPRTALDH1A1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5045222-A | Liquid detergent formulations | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-09-03 | — | — | US | disclosed |
| EP-0125781-B1 | PEROXYGEN COMPOUNDS | Interox Chemicals Limited (GB) | 1987-08-12 | — | — | EP | disclosed |
| US-4541944-A | BLEACHES, LAUNDRY | INTEROX CHEMICALS LIMITED (GB) | 1985-09-17 | — | — | US | disclosed |
| EP-0125781-A1 | Peroxygen compounds | Interox Chemicals Limited (GB) | 1984-11-21 | — | — | EP | disclosed |