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 |
| ▸ | CES2 | O00748 | 4/20 | 0.54 |
| ▸ | CES1 | P23141 | 4/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
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 SCHEMBL27830622 | 1.00 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL6348108 | 0.98 | TSHR (0.67) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL9785834 | 0.95 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28076125 | 0.95 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 | |
| Terephthalic Acid SCHEMBL28859780 | 0.88 | TSHR (0.63) | TSHRDAONAPRTCES2CES1 | |
| Terephthalic Acid SCHEMBL10736240 | 0.88 | TSHR (0.63) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL27642009 | 0.88 | TSHR (0.54) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL3410022 | 0.85 | TSHR (0.50) | TSHRDAONAPRTCES2CES1 | |
| Benzophenone SCHEMBL10900098 | 0.84 | ALDH1A1 (0.67) | TSHRDAONAPRTCES2CES1 | |
| Methacrylic Acid SCHEMBL3468305 | 0.84 | CES2 (0.50) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105637040-A | Zinc or copper (ii) salt and use thereof as a biocide | LABORATORIYA BIO ZET LTD LIABILITY COMPANY | 2016-06-01 | — | — | CN | disclosed |