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 | 7/20 | 0.89 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.89 |
| ▸ | MGLL | Q99685 | 7/20 | 0.89 |
| ▸ | EHMT2 | Q96KQ7 | 4/20 | 0.89 |
| ▸ | EHMT1 | Q9H9B1 | 4/20 | 0.89 |
| ▸ | PHGDH | O43175 | 3/20 | 0.89 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.89 |
| ▸ | HTT | P42858 | 3/20 | 0.89 |
| ▸ | LMNA | P02545 | 3/20 | 0.89 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.89 |
| ▸ | GSDMD | P57764 | 2/20 | 0.89 |
| ▸ | TP53 | P04637 | 2/20 | 0.89 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.89 |
| ▸ | FBP1 | P09467 | 2/20 | 0.89 |
| ▸ | MAPT | P10636 | 2/20 | 0.89 |
| ▸ | PKM | P14618 | 2/20 | 0.89 |
| ▸ | HPGD | P15428 | 2/20 | 0.89 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.89 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.89 |
| ▸ | LOX | P28300 | 2/20 | 0.89 |
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 | |
|---|---|---|---|---|
| Disulfiram SCHEMBL4654748 | 0.94 | ALDH1A1 (1.00) | ALDH1A1ALDH2MGLLEHMT2EHMT1 | |
| Disulfiram SCHEMBL27213 | 0.94 | ALDH1A1 (1.00) | ALDH1A1ALDH2MGLLEHMT2EHMT1 | |
| Disulfiram SCHEMBL31719635 | 0.92 | ALDH1A1 (0.94) | ALDH1A1ALDH2MGLLEHMT2EHMT1 | |
| Disulfiram SCHEMBL11155542 | 0.92 | ALDH1A1 (0.94) | ALDH1A1ALDH2MGLLEHMT2EHMT1 | |
| Disulfiram SCHEMBL10886601 | 0.92 | ALDH1A1 (0.94) | ALDH1A1ALDH2MGLLEHMT2EHMT1 | |
| Disulfiram SCHEMBL5364281 | 0.92 | ALDH1A1 (0.94) | ALDH1A1ALDH2MGLLEHMT2EHMT1 | |
| Disulfiram SCHEMBL5961375 | 0.92 | ALDH1A1 (0.94) | ALDH1A1ALDH2MGLLEHMT2EHMT1 | |
| Disulfiram SCHEMBL28246322 | 0.92 | ALDH1A1 (0.94) | ALDH1A1ALDH2MGLLEHMT2EHMT1 | |
| Disulfiram SCHEMBL28074264 | 0.92 | ALDH1A1 (0.94) | ALDH1A1ALDH2MGLLEHMT2EHMT1 | |
| Disulfiram SCHEMBL10542872 | 0.89 | ALDH1A1 (0.89) | ALDH1A1ALDH2MGLLEHMT2EHMT1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023235753-A2 | ALDH2 INHIBITORS AND METHODS OF USE THEREOF | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2023-12-07 | — | — | WO | disclosed |
| CN-113045464-A | Preparation, nano-drug, nano-particles and preparation method and application thereof | 南京晓微科技有限公司 | 2021-06-29 | — | — | CN | disclosed |
| EP-3684365-A1 | PROTEIN DEGRADERS AND USES THEREOF | Kymera Therapeutics, Inc. (US) | 2020-07-29 | — | — | EP | disclosed |
| WO-2019060742-A1 | PROTEIN DEGRADERS AND USES THEREOF | KYMERA THERAPEUTICS, INC (US) | 2019-03-28 | — | — | WO | disclosed |
| WO-2008068746-A2 | DISULFIRAM DOSES AND TREATMENT REGIMEN SUITABLE FOR TREATMENT OF ANGIOGENESIS-DEPENDENT DISORDERS | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2008-06-12 | — | — | WO | disclosed |
| US-4777173-A | Method for treatment of alcohol abuse | BRISTOL-MYERS COMPANY (US) | 1988-10-11 | — | — | US | disclosed |