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 | 2/20 | 0.64 |
| ▸ | DAO | P14920 | 1/20 | 0.64 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.64 |
| ▸ | CES1 | P23141 | 8/20 | 0.54 |
| ▸ | CES2 | O00748 | 7/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
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 SCHEMBL2762272 | 0.93 | TSHR (0.74) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL578126 | 0.93 | TSHR (0.74) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL29286711 | 0.93 | TSHR (0.74) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL9861287 | 0.91 | TSHR (0.70) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL10948080 | 0.88 | TSHR (0.67) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL1000223 | 0.88 | TSHR (0.82) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL10528722 | 0.88 | TSHR (0.82) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL10425703 | 0.85 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL2400344 | 0.85 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL28693411 | 0.85 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0057104-A2 | Polymers containing 1,3-imidazolidine-1,3-diyl rings plasticized with aromatic sulfones or sulfoxides | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1982-08-04 | — | — | EP | disclosed |