Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.55 |
| ▸ | CA2 | P00918 | 8/20 | 0.55 |
| ▸ | CA9 | Q16790 | 6/20 | 0.55 |
| ▸ | CA5A | P35218 | 4/20 | 0.55 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.50 |
| ▸ | CA3 | P07451 | 3/20 | 0.50 |
| ▸ | CA4 | P22748 | 3/20 | 0.50 |
| ▸ | CA6 | P23280 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1682720 | 0.75 | ALDH1A1 (0.54) | CA1CA2CA9CA5ACA12 | |
| SCHEMBL27909482 | 0.74 | ALDH1A1 (0.72) | CA1CA2CA9CA5ACA12 | |
| SCHEMBL22567 | 0.74 | ALDH1A1 (0.72) | CA1CA2CA9CA5ACA12 | |
| SCHEMBL5180046 | 0.73 | ALDH1A1 (0.52) | CA1CA2CA9CA5ACA12 | |
| Sulfuric Acid SCHEMBL28654341 | 0.72 | CA1 (0.62) | CA1CA2CA9CA5ACA12 | |
| SCHEMBL2046051 | 0.72 | CA1 (0.51) | CA1CA2CA9CA5ACA12 | |
| SCHEMBL751741 | 0.71 | CA1 (0.47) | CA1CA2CA9CA5ACA12 | |
| SCHEMBL754634 | 0.71 | MAPK1 (0.42) | CA1CA2CA9CA5ACA12 | |
| SCHEMBL751562 | 0.71 | ALDH1A1 (0.50) | CA1CA2CA9HSD11B1ACHE | |
| SCHEMBL754508 | 0.71 | CA2 (0.47) | CA1CA2CA9CA5ACA12 |
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 |