Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Salicylic 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | NAAA | Q02083 | 1/20 | 0.52 |
| ▸ | KAT8 | Q9H7Z6 | 4/20 | 0.49 |
| ▸ | PPARA | Q07869 | 2/20 | 0.49 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.46 |
| ▸ | BID | P55957 | 3/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Cetrimonium SCHEMBL2165536 | 0.98 | ALDH1A1 (0.53) | ALDH1A1KDM4ECA12CA1CA2 | |
| Phthalic Acid SCHEMBL8438177 | 0.91 | ALDH1A1 (0.52) | ALDH1A1KDM4ECA12SMN1; SMN2CA9 | |
| Phthalic Acid SCHEMBL8434738 | 0.91 | ALDH1A1 (0.52) | ALDH1A1KDM4ECA12SMN1; SMN2CA9 | |
| Cetrimonium SCHEMBL8439270 | 0.91 | ALDH1A1 (0.52) | ALDH1A1KDM4ECA12SMN1; SMN2CA9 | |
| Hexadecane SCHEMBL28225619 | 0.89 | ALDH1A1 (0.69) | ALDH1A1KDM4ECA12CA1CA2 | |
| Dodecane SCHEMBL6692297 | 0.89 | ALDH1A1 (0.69) | ALDH1A1KDM4ECA12CA1CA2 | |
| Salicylic Acid SCHEMBL28366261 | 0.89 | ALDH1A1 (0.69) | ALDH1A1KDM4ECA12CA1CA2 | |
| Salicylic Acid SCHEMBL8621859 | 0.87 | ALDH1A1 (0.72) | ALDH1A1KDM4ECA12CA1CA2 | |
| Salicylic Acid SCHEMBL4841282 | 0.87 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDSMN1; SMN2NAAA | |
| Cetrimonium SCHEMBL4841411 | 0.87 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDSMN1; SMN2NAAA |
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-117567754-A | Antibacterial supermolecule ionic salt material and preparation method and application thereof | 深圳顺丰国际实业有限公司 | 2024-02-20 | — | — | CN | disclosed |