Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6743173 | 0.74 | CA1 (0.44) | MAPK1ALDH1A1CA1CA2CA9 | |
| SCHEMBL754634 | 0.73 | MAPK1 (0.42) | MAPK1CYP3A4ALDH1A1CA1CA2 | |
| SCHEMBL752557 | 0.70 | PKM (0.50) | MAPK1ALDH1A1CA1CA2CA9 | |
| SCHEMBL523466 | 0.69 | MAPK1 (0.40) | MAPK1CYP3A4ALDH1A1CA1CA2 | |
| SCHEMBL27596196 | 0.68 | AHR (0.48) | MAPK1CYP3A4ALDH1A1CA1CA2 | |
| SCHEMBL8760038 | 0.68 | MAPK1 (0.44) | MAPK1CYP3A4ALDH1A1CA1CA2 | |
| 1,4-Dichlorobenzene SCHEMBL2183865 | 0.68 | LMNA (0.61) | MAPK1CYP3A4ALDH1A1CA1CA2 | |
| 1,4-Dichlorobenzene SCHEMBL27285654 | 0.67 | LMNA (0.73) | MAPK1CYP3A4ALDH1A1CA1CA2 | |
| 1,4-Dichlorobenzene SCHEMBL28007745 | 0.67 | LMNA (0.73) | MAPK1CYP3A4ALDH1A1CA1CA2 | |
| SCHEMBL95552 | 0.67 | MEN1 (0.62) | MAPK1MEN1KMT2ATSHRHIF1A |
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 |