Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | PRMT5 | O14744 | 8/20 | 0.46 |
| ▸ | WDR77 | Q9BQA1 | 8/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.42 |
| ▸ | PRMT6 | Q96LA8 | 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 | |
|---|---|---|---|---|
| SCHEMBL10810535 | 0.94 | ALDH1A1 (0.64) | ALDH1A1PRMT5WDR77MAP4K4HRH3 | |
| SCHEMBL10811652 | 0.93 | ALDH1A1 (0.63) | ALDH1A1PRMT5WDR77HRH3 | |
| SCHEMBL695510 | 0.84 | ALDH1A1 (0.62) | ALDH1A1PRMT5WDR77KDM1ACNR1 | |
| Ammonia Solution, Strong SCHEMBL9637696 | 0.83 | ALDH1A1 (0.59) | ALDH1A1PRMT5WDR77KDM1ACYP2C9 | |
| SCHEMBL10990874 | 0.81 | MAP4K4 (0.45) | ALDH1A1MAP4K4 | |
| SCHEMBL9871698 | 0.79 | NOS1 (0.50) | ALDH1A1 | |
| SCHEMBL10809172 | 0.78 | BCHE (0.67) | ALDH1A1 | |
| SCHEMBL1040185 | 0.77 | ALDH1A1 (0.88) | ALDH1A1KDM1A | |
| SCHEMBL10662757 | 0.76 | ALDH1A1 (0.49) | ALDH1A1PRMT5WDR77CNR1CNR2 | |
| SCHEMBL10994169 | 0.75 | RAB9A (0.58) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5171860-A | Diamino isothiazole-1-oxides and 1,1 dioxides as gastric secretion inhibitors | MERCK & CO., INC. (US) | 1992-12-15 | — | — | US | disclosed |
| EP-0067436-B1 | DIAMINO ISOTHIAZOLE -1-OXIDES AND -1,1-DIOXIDES AS GASTRIC SECRETION INHIBITORS | MERCK & CO. INC. (US) | 1986-07-23 | — | — | EP | disclosed |
| EP-0067436-A2 | Diamino isothiazole -1-oxides and -1,1-dioxides as gastric secretion inhibitors | MERCK & CO. INC. (US) | 1982-12-22 | — | — | EP | disclosed |