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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.40 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 SCHEMBL28540152 | 0.86 | TSHR (0.47) | CA2CA4PTGS1PTGS2GABRA1 | |
| SCHEMBL860001 | 0.85 | GABRA1 (0.56) | CA2CA4PTGS1PTGS2GABRA1 | |
| SCHEMBL31662735 | 0.85 | GABRA1 (0.56) | CA2CA4PTGS1PTGS2GABRA1 | |
| Benzoic Acid SCHEMBL1033231 | 0.78 | CA2 (0.76) | CA2CA4TSHRMAPTALDH1A1 | |
| SCHEMBL27486578 | 0.75 | GABRA1 (0.52) | PTGS1PTGS2GABRA1GABRB2ANO1 | |
| Anthranilic Acid SCHEMBL28537842 | 0.75 | ALDH1A1 (0.44) | CA2CA4GABRA1GABRB2CXCL8 | |
| Benzoic Acid SCHEMBL29019191 | 0.74 | CA2 (0.70) | CA2CA4TSHRMAPTALDH1A1 | |
| SCHEMBL9321170 | 0.74 | CXCL8 (0.54) | CA2PTGS1PTGS2GABRA1GABRB2 | |
| SCHEMBL153695 | 0.73 | PTGS2 (0.59) | CA2CA4PTGS1PTGS2GABRA1 | |
| Benzoic Acid SCHEMBL10633493 | 0.72 | CA2 (0.81) | CA2CA4TSHRPOLBCYP3A4 |
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-110420140-B | Pouch removing cream with long-acting pouch removing effect and preparation method thereof | 广州艾蓓生物科技有限公司 | 2022-09-27 | — | — | CN | claimed |
| CN-110420140-B | Pouch removing cream with long-acting pouch removing effect and preparation method thereof | 广州艾蓓生物科技有限公司 | 2022-09-27 | — | — | CN | disclosed |