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 | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
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 SCHEMBL720048 | 1.00 | DAO (0.41) | DAOTSHRNAPRTPGRADRA2A | |
| Benzoic Acid SCHEMBL17583006 | 0.84 | DAO (0.40) | DAOTSHRNAPRTPGRADRA2A | |
| Acetic Acid SCHEMBL782119 | 0.81 | ALDH1A1 (0.31) | ALDH1A1ACE | |
| Benzoic Acid SCHEMBL1786956 | 0.80 | TSHR (0.45) | DAOTSHRNAPRTPGRADRA2A | |
| Benzoic Acid SCHEMBL28702117 | 0.77 | TSHR (0.54) | DAOTSHRNAPRTPGRADRA2A | |
| SCHEMBL722544 | 0.77 | MAPK1 (0.51) | TSHRPGRADRA2AADRA2BHTR2A | |
| Benzoic Acid SCHEMBL17594839 | 0.75 | TSHR (0.61) | DAOTSHRNAPRTPGRADRA2A | |
| Benzoic Acid SCHEMBL29155606 | 0.75 | TSHR (0.61) | DAOTSHRNAPRTPGRADRA2A | |
| Benzoic Acid SCHEMBL26104752 | 0.75 | TSHR (0.42) | DAOTSHRNAPRTALDH1A1RAB9A | |
| Benzoic Acid SCHEMBL1784821 | 0.74 | TSHR (0.50) | DAOTSHRNAPRTPGRADRA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8481235-B2 | Pentanediol ester containing photoconductors | XEROX CORPORATION (US) | 2013-07-09 | — | — | US | disclosed |
| US-20120052428-A1 | PENTANEDIOL ESTER CONTAINING PHOTOCONDUCTORS | XEROX CORPORATION (US) | 2012-03-01 | — | — | US | disclosed |