Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.32 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL9638812 | 0.76 | TSHR (0.35) | HPGDHSD17B10SMN1; SMN2MAPTTSHR | |
| SCHEMBL9637647 | 0.74 | PARP10 (0.33) | HPGDSMN1; SMN2TSHRMEN1KMT2A | |
| SCHEMBL9637695 | 0.71 | HPGD (0.30) | HPGDSMN1; SMN2 | |
| SCHEMBL15657138 | 0.62 | ALDH1A1 (0.64) | ALDH1A1USP2CYP1A2LMNAGAA | |
| SCHEMBL29990909 | 0.62 | CYP1A2 (0.50) | ALDH1A1USP2CYP1A2LMNAGAA | |
| SCHEMBL30418534 | 0.61 | ALDH1A1 (0.58) | ALDH1A1USP2CYP1A2LMNAGAA | |
| SCHEMBL10917062 | 0.61 | — | — | |
| SCHEMBL21531034 | 0.59 | CYP1A2 (0.57) | ALDH1A1CYP1A2LMNAGAAHPGD | |
| SCHEMBL3298763 | 0.59 | ALDH1A1 (0.56) | ALDH1A1USP2CYP1A2LMNAGAA | |
| SCHEMBL26089460 | 0.59 | PKM (0.64) | ALDH1A1USP2CYP1A2LMNAGAA |
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 2 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 |