Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hydroxytoluic 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 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.69 |
| ▸ | HPGD | P15428 | 5/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydroxytoluic Acid SCHEMBL416477 | 0.91 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10KMT2A | |
| Hydroxytoluic Acid SCHEMBL31175008 | 0.87 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10KMT2A | |
| Hydroxytoluic Acid SCHEMBL29380596 | 0.87 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10KMT2A | |
| Hydroxytoluic Acid SCHEMBL4389834 | 0.87 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10KMT2A | |
| Hydroxytoluic Acid SCHEMBL29975360 | 0.87 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10KMT2A | |
| Hydroxytoluic Acid SCHEMBL622891 | 0.87 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10KMT2A | |
| Hydroxytoluic Acid SCHEMBL9418192 | 0.87 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10KMT2A | |
| Hydroxytoluic Acid SCHEMBL29975592 | 0.87 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10KMT2A | |
| Hydroxytoluic Acid SCHEMBL29975309 | 0.87 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10KMT2A | |
| Hydroxytoluic Acid SCHEMBL1333592 | 0.87 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10KMT2A |
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-5665783-A | CONTACTING WITH HYDROXYCARBOXYLIC ACID; PRECIPITATION; WATER SOFTENING | ECOTECH (US) | 1997-09-09 | — | — | US | disclosed |