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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | CES1 | P23141 | 5/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 SCHEMBL30822818 | 0.89 | DAO (0.52) | TSHRDAONAPRTPPARACES2 | |
| Benzoic Acid SCHEMBL11043492 | 0.82 | DAO (0.52) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL11043488 | 0.82 | DAO (0.52) | TSHRDAONAPRTCES2CES1 | |
| Terephthalic Acid SCHEMBL29082608 | 0.77 | ALDH1A1 (0.46) | TSHRPTPN2PTPN1PTPN11ALDH1A1 | |
| Benzoic Acid SCHEMBL5575651 | 0.77 | DAO (0.50) | TSHRDAONAPRTPPARACES2 | |
| Benzoic Acid SCHEMBL28400302 | 0.77 | DAO (0.50) | TSHRDAONAPRTPPARACES2 | |
| Benzoic Acid SCHEMBL2762272 | 0.77 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL29286711 | 0.77 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL578126 | 0.77 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28386505 | 0.75 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106511331-B | Phenolic acid glucoside compound is preparing the application in drug-resistance bacteria medicine | 中国科学院成都生物研究所 | 2019-03-22 | — | — | CN | disclosed |
| CN-106511331-A | Application of Carnemycin B compounds to preparation of anti-drug-resistance-bacterium medicine | 中国科学院成都生物研究所 | 2017-03-22 | — | — | CN | disclosed |