Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 2/20 | 0.47 |
| ▸ | PTPRB | P23467 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | CMA1 | P23946 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL754797 | 0.79 | APLNR (0.49) | APLNRPTPRBIDO1PKMCA1 | |
| SCHEMBL16424752 | 0.73 | IDO1 (0.56) | IDO1CA1CA2CA9CA12 | |
| SCHEMBL8095198 | 0.73 | IDO1 (0.47) | APLNRIDO1CA1CA2CA9 | |
| SCHEMBL18247349 | 0.73 | CA1 (0.54) | APLNRPTPRBIDO1CA1CA2 | |
| SCHEMBL28458665 | 0.73 | CA1 (0.54) | APLNRPTPRBIDO1CA1CA2 | |
| SCHEMBL14679275 | 0.72 | IDO1 (0.50) | IDO1CA1CA2CA9CA12 | |
| Sulfuric Acid SCHEMBL28679089 | 0.71 | PTPRB (0.49) | APLNRPTPRBIDO1CA1CA2 | |
| SCHEMBL19327124 | 0.71 | APLNR (0.49) | APLNRPTPRBIDO1PKMCA1 | |
| SCHEMBL73472 | 0.71 | IDO1 (0.54) | IDO1CA1CA2CA9CA12 | |
| SCHEMBL27328 | 0.71 | IDO1 (0.58) | APLNRIDO1CA1CA2CA9 |
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 |