Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKLR | P30613 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30262267 | 0.74 | PKM (0.50) | PKMCA1CA2CA9CA12 | |
| SCHEMBL7030329 | 0.74 | CA1 (0.61) | CA1CA2CA9CA12CA7 | |
| SCHEMBL3345848 | 0.74 | CA1 (0.61) | CA1CA2CA9CA12CA7 | |
| SCHEMBL678596 | 0.74 | CA1 (0.61) | CA1CA2CA9CA12CA7 | |
| 1,4-Dimethoxybenzene SCHEMBL27477432 | 0.72 | CA1 (0.79) | PKMCA1CA2CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL27585844 | 0.72 | CA1 (0.79) | PKMCA1CA2CA9CA12 | |
| SCHEMBL4944536 | 0.72 | MAPT (0.58) | PKMCA1CA2CA9CA12 | |
| SCHEMBL7190291 | 0.72 | CA1 (0.58) | PKMCA1CA2CA9CA12 | |
| SCHEMBL3360355 | 0.71 | ALDH1A1 (0.52) | PKMCA1CA2CA9CA12 | |
| SCHEMBL12227837 | 0.71 | CA1 (0.65) | CA1CA2CA9CA12CA7 |
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 |