Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL751764 | 0.80 | PLCG1 (0.41) | CA9CA1CA2CA12IDO1 | |
| SCHEMBL751657 | 0.78 | CA1 (0.40) | CA9CA1CA2CA12IDO1 | |
| SCHEMBL755591 | 0.78 | TDP1 (0.38) | CA9CA1CA2CA12GAA | |
| SCHEMBL754797 | 0.78 | APLNR (0.49) | CA9CA1CA2CA12IDO1 | |
| SCHEMBL751567 | 0.77 | CA1 (0.41) | KMT2AMEN1CA9CA1CA2 | |
| SCHEMBL753679 | 0.74 | LOXL2 (0.52) | CA9CA1CA2CA12IDO1 | |
| SCHEMBL753761 | 0.72 | TAAR1 (0.44) | KMT2AMEN1CA9CA1CA2 | |
| SCHEMBL752230 | 0.69 | FDPS (0.50) | KMT2AIDO1 | |
| SCHEMBL394340 | 0.69 | ESR1 (0.61) | IDO1CYP1A2ACHE | |
| SCHEMBL9249326 | 0.69 | IDO1 (0.48) | IDO1CYP1A2ACHE |
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 |