Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL4077786 | 0.98 | KCNH2 (0.44) | KCNH2ALDH1A1TSHRCTSKSLC6A3 | |
| SCHEMBL19441219 | 0.96 | KCNH2 (0.47) | KCNH2ALDH1A1TSHRCTSKSLC6A3 | |
| SCHEMBL19861706 | 0.96 | KCNH2 (0.47) | KCNH2ALDH1A1TSHRCTSKSLC6A3 | |
| SCHEMBL7459485 | 0.96 | KCNH2 (0.47) | KCNH2ALDH1A1TSHRCTSKSLC6A3 | |
| SCHEMBL18531931 | 0.96 | KCNH2 (0.47) | KCNH2ALDH1A1TSHRCTSKSLC6A3 | |
| SCHEMBL7439199 | 0.96 | KCNH2 (0.47) | KCNH2ALDH1A1TSHRCTSKSLC6A3 | |
| Hydrochloric Acid SCHEMBL6462303 | 0.94 | KCNH2 (0.46) | KCNH2ALDH1A1TSHRCTSKSLC6A3 | |
| SCHEMBL14973055 | 0.92 | KCNH2 (0.44) | KCNH2ALDH1A1TSHRCTSKSLC6A3 | |
| SCHEMBL1527338 | 0.92 | — | — | |
| Pyridine SCHEMBL27766962 | 0.86 | TDP1 (0.40) | KCNH2SLC6A3LMNATDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102395592-A | Isothiazolopyrimidinedione derivatives as TRPA1 modulators | GLENMARK PHARMACEUTICALS SA | 2012-03-28 | — | — | CN | disclosed |
| CN-102361874-A | Furopyrimidinedione derivatives as trpa1 modulators | GLENMARK PHARMACEUTICALS SA | 2012-02-22 | — | — | CN | disclosed |