Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.48 |
| ▸ | CA2 | P00918 | 5/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA5A | P35218 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL750528 | 0.75 | MAPK1 (0.44) | CA1CA2CA9CA5ATSHR | |
| SCHEMBL10939741 | 0.75 | TSHR (0.52) | CA1CA2CA9CA5ATSHR | |
| SCHEMBL752557 | 0.75 | PKM (0.50) | CA1CA2CA9GAACA12 | |
| SCHEMBL6743173 | 0.74 | CA1 (0.44) | CA1CA2CA9CA5ATSHR | |
| SCHEMBL751741 | 0.73 | CA1 (0.47) | CA1CA2CA9CA5ATSHR | |
| P-Xylene SCHEMBL27858747 | 0.72 | GAA (0.58) | CA1CA2CA9CA5AGAA | |
| SCHEMBL1538813 | 0.69 | TSHR (0.58) | CA1CA2CA9CA5ATSHR | |
| SCHEMBL17273467 | 0.69 | TSHR (0.67) | CA1CA2CA9CA5ATSHR | |
| SCHEMBL14347806 | 0.68 | TSHR (0.50) | CA1CA2CA9CA5ATSHR | |
| SCHEMBL11808210 | 0.68 | CA1 (0.47) | CA1CA2CA9CA5ATSHR |
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 1 patent. 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 |