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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 9/20 | 0.48 |
| ▸ | RAB9A | P51151 | 8/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Gentisic Acid SCHEMBL28943452 | 0.86 | CA12 (0.53) | SMN1; SMN2ALDH1A1KDM4ECA12CA1 | |
| 2-Mercaptobenzothiazole SCHEMBL27994442 | 0.81 | ADORA1 (0.54) | SMN1; SMN2ALDH1A1HPGDMAPTL3MBTL1 | |
| 2-Mercaptobenzothiazole SCHEMBL10595021 | 0.81 | KMT2A (0.49) | SMN1; SMN2ALDH1A1HPGDCA12CA1 | |
| 2-Mercaptobenzothiazole SCHEMBL28866073 | 0.80 | ALDH1A1 (0.52) | SMN1; SMN2ALDH1A1KDM4EHPGDCA12 | |
| 2-Mercaptobenzothiazole SCHEMBL28062864 | 0.80 | MAPT (0.44) | SMN1; SMN2ALDH1A1KDM4EHPGDCA12 | |
| 2-Mercaptobenzothiazole SCHEMBL28760767 | 0.79 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1KDM4EHPGDCA12 | |
| 2-Mercaptobenzothiazole SCHEMBL28019016 | 0.79 | ADORA1 (0.56) | SMN1; SMN2ALDH1A1KDM4EMAPTL3MBTL1 | |
| 2-Mercaptobenzothiazole SCHEMBL29509878 | 0.79 | ALDH1A1 (0.54) | SMN1; SMN2ALDH1A1KDM4EHPGDCA12 | |
| 2-Mercaptobenzothiazole SCHEMBL23237 | 0.79 | ALDH1A1 (0.54) | SMN1; SMN2ALDH1A1KDM4EHPGDCA12 | |
| 2-Mercaptobenzothiazole SCHEMBL3789760 | 0.79 | ALDH1A1 (0.54) | SMN1; SMN2ALDH1A1KDM4EHPGDCA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-5416103-A | N-cyclohex(en)yl-pyridine carboxamides and compositions containing them for controlling fungal pests | BASF AKTIENGESELLSCHAFT (DE) | 1995-05-16 | — | — | US | disclosed |