Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL753958 | 0.76 | TSHR (0.42) | CA2CA1CA9CA5AMMP2 | |
| SCHEMBL751562 | 0.76 | ALDH1A1 (0.50) | CA2CA1CA9 | |
| SCHEMBL751741 | 0.76 | CA1 (0.47) | CA2CA1CA9CA5AMMP2 | |
| SCHEMBL754634 | 0.76 | MAPK1 (0.42) | CA2CA1CA9CA5ACYP2A6 | |
| SCHEMBL753849 | 0.75 | CA1 (0.43) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL754605 | 0.73 | ALDH1A1 (0.39) | IDO1 | |
| SCHEMBL754522 | 0.71 | CA1 (0.55) | CA2CA1CA9CA5AMMP2 | |
| SCHEMBL753731 | 0.69 | ESR1 (0.45) | CA2CA1 | |
| SCHEMBL752097 | 0.67 | CA1 (0.36) | CA2CA1 | |
| SCHEMBL19997246 | 0.67 | CYP2A6 (0.44) | CA2CA1CA9CA5ACYP2A6 |
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 |