Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL539055 | 0.98 | ALDH1A1 (0.35) | ALDH1A1GAAPOLB | |
| Hydrochloric Acid SCHEMBL6682965 | 0.97 | ALDH1A1 (0.34) | ALDH1A1GAAPOLB | |
| Sulfuric Acid SCHEMBL2187601 | 0.88 | ALDH1A1 (0.38) | ALDH1A1GAAPOLB | |
| SCHEMBL5394337 | 0.86 | ALDH1A1 (0.37) | ALDH1A1GAAPOLB | |
| Sulfuric Acid SCHEMBL2465032 | 0.85 | ALDH1A1 (0.40) | ALDH1A1GAAPOLB | |
| Sulfuric Acid SCHEMBL10349556 | 0.85 | ALDH1A1 (0.40) | ALDH1A1GAAPOLB | |
| SCHEMBL13275850 | 0.81 | — | — | |
| SCHEMBL184995 | 0.80 | — | — | |
| SCHEMBL15511148 | 0.79 | ALDH1A1 (0.34) | ALDH1A1GAAPOLB | |
| SCHEMBL2229771 | 0.79 | ALDH1A1 (0.41) | ALDH1A1GAAPOLB |
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-4194063-A | ENZYMATIC DECOMPOSITION TO AMMONIA WHICH REACTS WITH A BETA-DIKETONE AND FORMALDEHYDE TO FORM A DIHYDROPYRIDINE | EASTMAN KODAK COMPANY (US) | 1980-03-18 | — | — | US | disclosed |