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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.86 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.53 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.51 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL69041 | 0.93 | TSHR (1.00) | TSHRCA1CA2CA9FOLH1 | |
| SCHEMBL23003 | 0.92 | TSHR (0.79) | TSHRCA1CA2CA9FOLH1 | |
| SCHEMBL28370887 | 0.90 | TSHR (0.76) | TSHRCA1CA2CA9FOLH1 | |
| Ammonia Solution, Strong SCHEMBL27527756 | 0.90 | TSHR (0.76) | TSHRCA1CA2CA9FOLH1 | |
| SCHEMBL4861257 | 0.89 | TSHR (0.70) | TSHRCA1CA2CA9FOLH1 | |
| Benzoic Acid SCHEMBL28485841 | 0.88 | TSHR (0.68) | TSHRCA1CA2CA9PTPN1 | |
| Acetic Acid SCHEMBL28245857 | 0.87 | TSHR (0.71) | TSHRCA1CA2CA9FOLH1 | |
| Ethylene Glycol SCHEMBL1817402 | 0.87 | TSHR (0.71) | TSHRCA1CA2CA9FOLH1 | |
| Benzyl Alcohol SCHEMBL5488535 | 0.85 | TSHR (0.69) | TSHRCA1CA2CA9FOLH1 | |
| SCHEMBL6272312 | 0.85 | TSHR (0.62) | TSHRCA1CA2CA9PTPN1 |
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-115397244-A | Nitrification inhibitor fungicide composition and use thereof | 沃戴申生命科学美国有限责任公司 | 2022-11-25 | — | — | CN | disclosed |