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 | 0.67 |
| ▸ | DAO | P14920 | 1/20 | 0.67 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.67 |
| ▸ | CA4 | P22748 | 1/20 | 0.67 |
| ▸ | CA6 | P23280 | 1/20 | 0.67 |
| ▸ | CA5A | P35218 | 1/20 | 0.67 |
| ▸ | CA7 | P43166 | 1/20 | 0.67 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.67 |
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.56 |
| ▸ | TTR | P02766 | 1/20 | 0.53 |
| ▸ | P4HB | P07237 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| 4-Methylbenzoic Acid SCHEMBL5943882 | 0.86 | ALDH1A1 (0.65) | TSHRDAONAPRTCA4CA6 | |
| SCHEMBL128618 | 0.85 | TSHR (0.63) | TSHRDAONAPRTCA4CA6 | |
| Benzoic Acid SCHEMBL12098237 | 0.85 | TSHR (0.82) | TSHRDAONAPRTCA4CA6 | |
| Benzoic Acid SCHEMBL2504393 | 0.85 | TSHR (0.82) | TSHRDAONAPRTCA4CA6 | |
| SCHEMBL28284877 | 0.83 | TSHR (0.60) | TSHRDAONAPRTCA4CA6 | |
| SCHEMBL28286401 | 0.83 | TSHR (0.60) | TSHRDAONAPRTCA4CA6 | |
| Benzoic Acid SCHEMBL8998041 | 0.82 | TSHR (0.78) | TSHRDAONAPRTCA4CA6 | |
| Benzoic Acid SCHEMBL8998029 | 0.82 | TSHR (0.78) | TSHRDAONAPRTCA4CA6 | |
| Benzoic Acid SCHEMBL28946504 | 0.82 | TSHR (0.78) | TSHRDAONAPRTCA4CA6 | |
| Benzoic Acid SCHEMBL149318 | 0.82 | TSHR (1.00) | TSHRDAONAPRTCA4CA6 |
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-111423455-A | Bithiophene fused heterocycle organic compound and application thereof | 烟台显华化工科技有限公司 | 2020-07-17 | — | — | CN | disclosed |