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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | ADRB2 | P07550 | 10/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 10/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 10/20 | 0.59 |
| ▸ | PRKCA | P17252 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.45 |
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 SCHEMBL7688676 | 1.00 | ALDH1A1 (0.64) | ALDH1A1ADRB2ADRB1ADRB3PRKCA | |
| Benzoic Acid SCHEMBL28388934 | 1.00 | ALDH1A1 (0.64) | ALDH1A1ADRB2ADRB1ADRB3PRKCA | |
| Benzoic Acid SCHEMBL136510 | 1.00 | ALDH1A1 (0.64) | ALDH1A1ADRB2ADRB1ADRB3PRKCA | |
| SCHEMBL1866113 | 0.95 | ALDH1A1 (0.70) | ALDH1A1ADRB2ADRB1ADRB3PRKCA | |
| SCHEMBL1866116 | 0.95 | ALDH1A1 (0.70) | ALDH1A1ADRB2ADRB1ADRB3PRKCA | |
| SCHEMBL3391 | 0.95 | ALDH1A1 (0.70) | ALDH1A1ADRB2ADRB1ADRB3PRKCA | |
| SCHEMBL20515564 | 0.93 | ALDH1A1 (0.68) | ALDH1A1ADRB2ADRB1ADRB3PRKCA | |
| SCHEMBL2788016 | 0.93 | MAPT (0.58) | ALDH1A1ADRB2ADRB1ADRB3PRKCA | |
| Methyl Benzoate SCHEMBL29022830 | 0.93 | ADRB2 (0.59) | ALDH1A1ADRB2ADRB1ADRB3PRKCA | |
| Benzyl Benzoate SCHEMBL9296609 | 0.91 | KMT2A (0.64) | ALDH1A1ADRB2ADRB1ADRB3PRKCA |
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-2741731-A1 | ENCAPSULATES | The Procter and Gamble Company (US) | 2014-06-18 | — | — | EP | disclosed |
| WO-2013022949-A1 | ENCAPSULATES | THE PROCTER & GAMBLE COMPANY (US) | 2013-02-14 | — | — | WO | disclosed |
| WO-2012085864-A1 | ENCAPSULATES | PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) | 2012-06-28 | — | — | WO | disclosed |