Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.32 |
| ▸ | FRK | P42685 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9638680 | 0.81 | CA12 (0.35) | CA12CA1CA2CA9 | |
| SCHEMBL9638346 | 0.74 | NPC1 (0.41) | NPC1MAPTL3MBTL1LMNARAB9A | |
| SCHEMBL9637425 | 0.69 | NPC1 (0.33) | NPC1MAPTLMNARAB9A | |
| SCHEMBL8317489 | 0.66 | CA12 (0.41) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9637657 | 0.63 | MEN1 (0.34) | CA12CA1CA2CA9MAPK1 | |
| SCHEMBL3263200 | 0.61 | LRRK2 (0.46) | MAPK1HTTHSD17B10CCR4LMNA | |
| SCHEMBL8178416 | 0.59 | — | — | |
| SCHEMBL27149068 | 0.59 | MAPT (0.46) | CA12CA1CA2CA9MAPK1 | |
| SCHEMBL6833252 | 0.59 | RECQL (0.33) | MAPK1MAPTALDH1A1TP53NPSR1 | |
| SCHEMBL2415480 | 0.57 | ALDH1A1 (0.44) | CA12CA1CA2CA9MAPK1 |
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 |