Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AGXT | P21549 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
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) | IDO1TAAR1EGFRERBB2CA1 | |
| SCHEMBL750559 | 0.78 | SMN1; SMN2 (0.42) | TAAR1CA1CA2CA9CA12 | |
| SCHEMBL751657 | 0.77 | CA1 (0.40) | IDO1LOXL2TAAR1EGFRERBB2 | |
| SCHEMBL754030 | 0.75 | APLNR (0.47) | IDO1TAAR1CA1CA2CA9 | |
| SCHEMBL28349122 | 0.69 | ALDH1A1 (0.41) | IDO1LOXL2TAAR1EGFRERBB2 | |
| SCHEMBL22462571 | 0.68 | SLC6A2 (0.52) | LOXL2TAAR1CA1CA2CA9 | |
| SCHEMBL6432616 | 0.68 | CTBP2 (0.41) | ALDH1A1 | |
| SCHEMBL10248786 | 0.67 | IDO1 (0.48) | IDO1LOXL2TAAR1AGXT | |
| SCHEMBL9025476 | 0.67 | TRPA1 (0.44) | IDO1LOXL2TAAR1BCHEACHE | |
| SCHEMBL23461 | 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 |