Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 4/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 4/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9637657 | 0.81 | MEN1 (0.34) | CA12CA1CA2CA9MAPK8 | |
| SCHEMBL10919064 | 0.69 | MAPK8 (0.33) | MAPK8MAPK9MAPK10PRKD3PRKD2 | |
| SCHEMBL10911984 | 0.62 | CA12 (0.32) | CA12CA1CA2CA9CCNA2 | |
| SCHEMBL2059028 | 0.62 | HPGD (0.33) | CA12CA1CA2CA9 | |
| SCHEMBL9638657 | 0.61 | — | — | |
| SCHEMBL9638327 | 0.61 | — | — | |
| SCHEMBL8317489 | 0.56 | CA12 (0.41) | CA12CA1CA2CA9 | |
| SCHEMBL16828155 | 0.56 | SMN1; SMN2 (0.40) | CA12CA1CA2CA9CCNA2 | |
| SCHEMBL9875106 | 0.56 | KDM4E (0.40) | CA12CA1CA2CA9MAPK1 | |
| SCHEMBL14100052 | 0.55 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0067436-B1 | DIAMINO ISOTHIAZOLE -1-OXIDES AND -1,1-DIOXIDES AS GASTRIC SECRETION INHIBITORS | MERCK & CO. INC. (US) | 1986-07-23 | — | — | EP | claimed |
| EP-0067436-A2 | Diamino isothiazole -1-oxides and -1,1-dioxides as gastric secretion inhibitors | MERCK & CO. INC. (US) | 1982-12-22 | — | — | EP | claimed |
| 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 |