Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | BCHE | P06276 | 4/20 | 0.37 |
| ▸ | ACHE | P22303 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL755099 | 0.79 | SLC6A2 (0.45) | CA1CA2CA9IDO1KMT2A | |
| SCHEMBL753608 | 0.79 | IDO1 (0.38) | CA1CA2CA9IDO1ALDH1A1 | |
| SCHEMBL754030 | 0.79 | APLNR (0.47) | CA1CA2CA9IDO1ALDH1A1 | |
| SCHEMBL750559 | 0.78 | SMN1; SMN2 (0.42) | CA1CA2CA9KMT2AALDH1A1 | |
| SCHEMBL754036 | 0.77 | KMT2A (0.43) | CA1CA2CA9IDO1GAA | |
| SCHEMBL9249326 | 0.67 | IDO1 (0.48) | IDO1ACHEESR1ESR2TDP1 | |
| SCHEMBL394340 | 0.67 | ESR1 (0.61) | IDO1ACHEESR1ESR2TDP1 | |
| SCHEMBL751741 | 0.67 | CA1 (0.47) | CA1CA2CA9GAAKMT2A | |
| SCHEMBL17851263 | 0.67 | IDO1 (0.38) | IDO1ACHEESR1ESR2TDP1 | |
| SCHEMBL95111 | 0.66 | — | — |
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 |