Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL752983 | 1.00 | GAA (0.56) | GAACA1CA2CA12CA3 | |
| SCHEMBL14354527 | 0.87 | ALDH1A1 (0.50) | GAACA1CA2CA12CA6 | |
| SCHEMBL8745517 | 0.85 | GAA (0.56) | GAACA1CA2CA12CA3 | |
| SCHEMBL30565133 | 0.82 | GAA (0.59) | GAACA1CA2CA12CA3 | |
| SCHEMBL855712 | 0.80 | ALDH1A1 (0.64) | GAACA1CA2CA12CA3 | |
| SCHEMBL384938 | 0.80 | GAA (0.56) | GAACA1CA2CA12CA3 | |
| SCHEMBL2739639 | 0.78 | ALDH1A1 (0.75) | GAACA1CA2CA9ALDH1A1 | |
| SCHEMBL1098295 | 0.78 | GAA (0.54) | GAACA1CA2CA12CA3 | |
| SCHEMBL28745644 | 0.78 | GAA (0.54) | GAACA1CA2CA12CA3 | |
| SCHEMBL5403737 | 0.77 | CA2 (0.54) | CA1CA2CA12CA5ACA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2213166-B1 | Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone | THOR GMBH (DE) | 2012-03-21 | — | — | EP | claimed |
| EP-2213166-A1 | Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone | THOR GmbH (DE) | 2010-08-04 | — | — | EP | claimed |
| EP-2213166-B1 | Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone | THOR GMBH (DE) | 2012-03-21 | — | — | EP | disclosed |
| EP-2213166-A1 | Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone | THOR GmbH (DE) | 2010-08-04 | — | — | EP | disclosed |