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 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ACE | P12821 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 SCHEMBL17594839 | 0.86 | TSHR (0.61) | TSHRDAONAPRTPGRADRA2A | |
| Benzoic Acid SCHEMBL1784821 | 0.85 | TSHR (0.50) | TSHRDAONAPRTPGRADRA2A | |
| Benzoic Acid SCHEMBL28606725 | 0.85 | DAO (0.50) | TSHRDAONAPRTPGRADRA2A | |
| Benzoic Acid SCHEMBL29078158 | 0.84 | MAPT (0.46) | TSHRDAONAPRTPGRADRA2A | |
| Benzoic Acid SCHEMBL27851491 | 0.84 | DAO (0.48) | TSHRDAONAPRTPGRADRA2A | |
| Benzoic Acid SCHEMBL2963265 | 0.84 | TSHR (0.64) | TSHRDAONAPRTPGRADRA2A | |
| Benzoic Acid SCHEMBL770049 | 0.84 | TSHR (0.64) | TSHRDAONAPRTPGRADRA2A | |
| Benzoic Acid SCHEMBL5918273 | 0.84 | TSHR (0.64) | TSHRDAONAPRTPGRADRA2A | |
| Benzoic Acid SCHEMBL28760451 | 0.82 | TSHR (0.47) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL29155606 | 0.82 | TSHR (0.61) | TSHRDAONAPRTPGRADRA2A |
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-109180843-B | Non-phthalate compounds as electron donors for polyolefin catalysts | 美国台塑公司 | 2022-03-01 | — | — | CN | claimed |
| CN-109180843-B | Non-phthalate compounds as electron donors for polyolefin catalysts | 美国台塑公司 | 2022-03-01 | — | — | CN | disclosed |