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 | 0.56 |
| ▸ | DAO | P14920 | 1/20 | 0.56 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | RGS12 | O14924 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
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 SCHEMBL1082233 | 1.00 | TSHR (0.56) | TSHRDAONAPRTLMNACES2 | |
| Benzoic Acid SCHEMBL4577966 | 0.92 | TSHR (0.52) | TSHRDAONAPRTLMNACES2 | |
| Benzoyl Formic Acid SCHEMBL16045688 | 0.91 | CES2 (0.50) | TSHRDAONAPRTLMNACES2 | |
| Benzoic Acid SCHEMBL16045202 | 0.87 | KDM4E (0.43) | TSHRDAONAPRTLMNACES2 | |
| Benzoic Acid SCHEMBL16047306 | 0.87 | LMNA (0.50) | TSHRDAONAPRTLMNACES2 | |
| Benzoic Acid SCHEMBL29093111 | 0.87 | TSHR (0.42) | TSHRDAONAPRTLMNACES2 | |
| Acetic Acid SCHEMBL18759652 | 0.85 | LMNA (0.56) | TSHRLMNACES2CES1ADRA2C | |
| SCHEMBL1071177 | 0.85 | KDM4E (0.65) | TSHRLMNAADRA2CCYP3A4CHRM2 | |
| SCHEMBL3096571 | 0.85 | KDM4E (0.65) | TSHRLMNAADRA2CCYP3A4CHRM2 | |
| SCHEMBL3096554 | 0.85 | KDM4E (0.65) | TSHRLMNAADRA2CCYP3A4CHRM2 |
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 |