Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | MMP1 | P03956 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 1/20 | 0.53 |
| ▸ | MMP9 | P14780 | 1/20 | 0.53 |
| ▸ | MMP8 | P22894 | 1/20 | 0.53 |
| ▸ | MMP13 | P45452 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | STS | P08842 | 1/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11064782 | 0.91 | ACLY (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL28493526 | 0.86 | ALDH1A1 (0.52) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL28494294 | 0.82 | CA1 (0.60) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL27482443 | 0.80 | CA1 (0.53) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL3936649 | 0.79 | CA1 (0.56) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL11094513 | 0.79 | CA1 (0.45) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL5931096 | 0.79 | CA1 (0.60) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL9492107 | 0.78 | CA1 (0.64) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL28499035 | 0.78 | CA1 (0.55) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL15779079 | 0.77 | GAA (0.54) | CA1CA2MMP1MMP2MMP9 |
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 4 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 |
| US-4428956-A | GLYCOLATE OXIDASE INHIBITORS | MERCK & CO., INC. (US) | 1984-01-31 | — | — | US | 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 |