Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9637647 | 0.83 | PARP10 (0.33) | TSHRHPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL9637450 | 0.66 | HPGD (0.46) | TSHRALDH1A1CYP1A2MAPTNPC1 | |
| SCHEMBL13495390 | 0.62 | PDE4D (0.51) | ALDH1A1MAPTNPSR1POLBPKM | |
| SCHEMBL20472328 | 0.61 | OPRK1 (0.48) | TSHRALDH1A1NPC1RAB9ANPSR1 | |
| SCHEMBL16114392 | 0.61 | CYP2C9 (0.50) | ALDH1A1CYP1A2MAPTNPC1RAB9A | |
| SCHEMBL18113731 | 0.61 | CA12 (0.48) | TSHRALDH1A1CYP1A2MAPTNPC1 | |
| SCHEMBL11563077 | 0.61 | MAPT (0.52) | TSHRALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL11732040 | 0.60 | MAPT (0.49) | TSHRALDH1A1CYP1A2MAPTNPC1 | |
| SCHEMBL4827391 | 0.60 | CYP1A2 (0.48) | TSHRALDH1A1CYP1A2MAPTHPGD | |
| SCHEMBL31590423 | 0.59 | KDM4E (0.66) | ALDH1A1CYP1A2RAB9APOLBRXFP1 |
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 |