Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Disulfiram. 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 | |
|---|---|---|---|---|
| ▸ | ALDH2 known ✓ | P05091 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MGLL | Q99685 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | PHGDH | O43175 | 2/20 | 0.47 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | FBP1 | P09467 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Disulfoton SCHEMBL6732289 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HSD17B10CYP3A4KMT2ATSHR | |
| Disulfoton SCHEMBL27180 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HSD17B10CYP3A4KMT2ATSHR | |
| Disulfoton SCHEMBL7610063 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HSD17B10CYP3A4KMT2ATSHR | |
| Ethion SCHEMBL4108994 | 0.79 | ALDH1A1 (0.92) | ALDH1A1HSD17B10CYP3A4KMT2ATSHR | |
| Disulfoton SCHEMBL8932165 | 0.77 | ALDH1A1 (0.89) | ALDH1A1HSD17B10CYP3A4KMT2ATSHR | |
| Disulfoton SCHEMBL8669947 | 0.75 | ALDH1A1 (0.77) | ALDH1A1HSD17B10CYP3A4KMT2ATSHR | |
| SCHEMBL29350865 | 0.74 | ALDH1A1 (0.81) | ALDH1A1HSD17B10CYP3A4KMT2ATSHR | |
| Demeton S SCHEMBL8660394 | 0.73 | ALDH1A1 (0.79) | ALDH1A1HSD17B10CYP3A4KMT2ATSHR | |
| SCHEMBL8535140 | 0.73 | ALDH1A1 (0.78) | ALDH1A1HSD17B10CYP3A4KMT2ATSHR | |
| Disulfiram SCHEMBL11155542 | 0.71 | ALDH1A1 (0.94) | ALDH1A1HSD17B10CYP3A4KMT2AALDH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015018870-A1 | AGROCHEMICAL FORMULATIONS WITH IMPROVED DRIFT CONTROL | LAMBERTI SPA (IT) | 2015-02-12 | — | — | WO | disclosed |