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 | 6/20 | 0.87 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.87 |
| ▸ | MGLL | Q99685 | 5/20 | 0.74 |
| ▸ | PHGDH | O43175 | 3/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | PKM | P14618 | 2/20 | 0.70 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.70 |
| ▸ | GMNN | O75496 | 1/20 | 0.70 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | TP53 | P04637 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.70 |
| ▸ | HTR1A | P08908 | 1/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.70 |
| ▸ | FBP1 | P09467 | 1/20 | 0.70 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 1/20 | 0.70 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL11009694 | 0.94 | MGLL (0.85) | ALDH1A1ALDH2MGLLPHGDHCYP3A4 | |
| SCHEMBL24804 | 0.93 | ALDH1A1 (1.00) | ALDH1A1ALDH2MGLLPHGDHCYP3A4 | |
| Disulfiram SCHEMBL28830166 | 0.92 | ALDH1A1 (0.74) | ALDH1A1ALDH2MGLLPHGDHCYP3A4 | |
| SCHEMBL11706100 | 0.92 | MGLL (0.89) | ALDH1A1ALDH2MGLLPHGDHCYP3A4 | |
| SCHEMBL11159276 | 0.91 | ALDH1A1 (0.95) | ALDH1A1ALDH2MGLLPHGDHCYP3A4 | |
| SCHEMBL25554825 | 0.89 | MGLL (0.78) | ALDH1A1ALDH2MGLLPHGDHCYP3A4 | |
| SCHEMBL24360190 | 0.89 | ALDH1A1 (0.91) | ALDH1A1ALDH2MGLLPHGDHCYP3A4 | |
| Disulfiram SCHEMBL9718815 | 0.88 | ALDH1A1 (0.67) | ALDH1A1ALDH2MGLLPHGDHCYP3A4 | |
| SCHEMBL11014268 | 0.87 | ALDH1A1 (0.87) | ALDH1A1ALDH2MGLLPHGDHCYP3A4 | |
| SCHEMBL283865 | 0.86 | ALDH1A1 (0.86) | ALDH1A1ALDH2MGLLPHGDHCYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9457234-B2 | Golf ball | DUNLOP SPORTS CO. LTD. (JP) | 2016-10-04 | — | — | US | disclosed |
| US-20140100058-A1 | GOLF BALL | Dunlop Sprorts Co., Ltd. (JP) | 2014-04-10 | — | — | US | disclosed |