Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9637581 | 0.81 | CA12 (0.34) | CA12CA1CA2CA9 | |
| SCHEMBL8317489 | 0.67 | CA12 (0.41) | CA12CA1CA2CA9 | |
| SCHEMBL6833252 | 0.60 | RECQL (0.33) | — | |
| SCHEMBL9638346 | 0.59 | NPC1 (0.41) | — | |
| SCHEMBL2415480 | 0.58 | ALDH1A1 (0.44) | CA12CA1CA2CA9 | |
| SCHEMBL9427098 | 0.57 | CA1 (0.50) | CA12CA1CA2CA9 | |
| SCHEMBL9637425 | 0.56 | NPC1 (0.33) | — | |
| SCHEMBL29131009 | 0.55 | CDK1 (0.41) | CA12CA1CA2CA9 | |
| SCHEMBL5700546 | 0.55 | NQO1 (0.46) | CA12CA1CA2CA9 | |
| SCHEMBL8373115 | 0.55 | MAPT (0.46) | — |
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 |