Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.34 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9637483 | 0.85 | HSD17B10 (0.37) | ALDH1A1HPGDHSD17B10SMN1; SMN2TSHR | |
| SCHEMBL9637538 | 0.83 | HPGD (0.38) | ALDH1A1HPGDHSD17B10SMN1; SMN2TSHR | |
| SCHEMBL9637671 | 0.83 | HPGD (0.34) | HPGDHSD17B10SMN1; SMN2TSHRKDM4E | |
| SCHEMBL9638379 | 0.78 | HPGD (0.33) | ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E | |
| SCHEMBL11213214 | 0.69 | ALDH1A1 (0.53) | ALDH1A1HPGDHSD17B10MAPK1ALOX15 | |
| SCHEMBL3084533 | 0.69 | IKBKB (0.40) | IKBKBALDH1A1HPGDHSD17B10MAPK1 | |
| SCHEMBL9638641 | 0.69 | CDC7 (0.33) | HSD17B10MAPK1ALOX15GAA | |
| SCHEMBL30852499 | 0.66 | CDC7 (0.44) | ALDH1A1HPGDHSD17B10MAPK1SMN1; SMN2 | |
| SCHEMBL9637647 | 0.65 | PARP10 (0.33) | HPGDPARP10SMN1; SMN2NCOA1NCOA3 | |
| SCHEMBL20654288 | 0.63 | ROCK2 (0.50) | IKBKBALDH1A1 |
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 |