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 | 3/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 SCHEMBL3683174 | 0.88 | TSHR (0.61) | TSHRDAONAPRTCES1SRD5A2 | |
| Benzoic Acid SCHEMBL1784044 | 0.80 | TSHR (0.56) | TSHRDAONAPRTCES1SRD5A2 | |
| Benzoyl Formic Acid SCHEMBL16047998 | 0.79 | CES2 (0.53) | TSHRDAONAPRTCES1SRD5A2 | |
| Benzoic Acid SCHEMBL28688615 | 0.79 | TSHR (0.54) | TSHRDAONAPRTCES1SRD5A2 | |
| Benzoic Acid SCHEMBL203288 | 0.79 | TSHR (0.54) | TSHRDAONAPRTCES1SRD5A2 | |
| Benzoic Acid SCHEMBL28694500 | 0.77 | TSHR (0.47) | TSHRDAONAPRTCES1SRD5A2 | |
| Benzoic Acid SCHEMBL5085505 | 0.76 | TSHR (0.61) | TSHRDAONAPRTCES1SRD5A2 | |
| Benzoic Acid SCHEMBL5079308 | 0.76 | TSHR (0.61) | TSHRDAONAPRTCES1SRD5A2 | |
| Benzil SCHEMBL27781096 | 0.76 | CES2 (0.61) | CES1CES2ALDH1A1SMN1; SMN2MAPT | |
| Benzoic Acid SCHEMBL16046029 | 0.75 | TSHR (0.52) | TSHRDAONAPRTCES1SRD5A2 |
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 |