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 | 8/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.64 |
| ▸ | HPGD | P15428 | 6/20 | 0.64 |
| ▸ | CA12 | O43570 | 1/20 | 0.64 |
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.64 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.64 |
| ▸ | CA4 | P22748 | 1/20 | 0.64 |
| ▸ | CA6 | P23280 | 1/20 | 0.64 |
| ▸ | CA7 | P43166 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | CA9 | Q16790 | 1/20 | 0.64 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.64 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | G6PD | P11413 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Salicylic Acid SCHEMBL28863432 | 0.85 | ALDH1A1 (0.69) | ALDH1A1KDM4EHPGDCA12CA1 | |
| Salicylic Acid SCHEMBL27871001 | 0.83 | ALDH1A1 (0.78) | ALDH1A1KDM4EHPGDCA12CA1 | |
| Salicylic Acid SCHEMBL15568422 | 0.83 | ALDH1A1 (0.78) | ALDH1A1KDM4EHPGDCA12CA1 | |
| Salicylic Acid SCHEMBL27880804 | 0.81 | ALDH1A1 (0.75) | ALDH1A1KDM4EHPGDCA12CA1 | |
| Salicylic Acid SCHEMBL29529431 | 0.81 | ALDH1A1 (0.75) | ALDH1A1KDM4EHPGDCA12CA1 | |
| Salicylic Acid SCHEMBL5524614 | 0.81 | ALDH1A1 (0.75) | ALDH1A1KDM4EHPGDCA12CA1 | |
| Salicylic Acid SCHEMBL28186266 | 0.81 | ALDH1A1 (0.75) | ALDH1A1KDM4EHPGDCA12CA1 | |
| Anthranilic Acid SCHEMBL11837599 | 0.81 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| Salicylic Acid SCHEMBL27870917 | 0.81 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDCA12CA1 | |
| Salicylic Acid SCHEMBL1829341 | 0.81 | ALDH1A1 (0.82) | ALDH1A1KDM4EHPGDCA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1531924-A | Use of isovaleric acid derivatives CNS inhibitors in preparing medicine for curing headache | NPSҩ������˾ | 2004-09-29 | — | — | CN | disclosed |
| CN-1152677-C | Treatment of spasticity and convulsions with isovaleric acid derivatives CNS inhibitors | NPSҩ������˾ | 2004-06-09 | — | — | CN | disclosed |
| CN-1235541-A | Treatment of spasticity, convulsions with isovaleric acid derivatives CNS inhibitors | NPS PHARMA INC (US) | 1999-11-17 | — | — | CN | disclosed |