Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | ACP3 | P15309 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29763080 | 0.72 | KEAP1 (0.43) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL35772 | 0.72 | KEAP1 (0.43) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL17502201 | 0.72 | ALDH1A1 (0.46) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL27511411 | 0.71 | ALDH1A1 (0.50) | ACP3KEAP1ALDH1A1CYP2A6TSHR | |
| SCHEMBL1719758 | 0.71 | KEAP1 (0.42) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL11606350 | 0.71 | KEAP1 (0.42) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL11651931 | 0.71 | KEAP1 (0.42) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL1719756 | 0.71 | CA2 (0.41) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL29367463 | 0.71 | CA2 (0.41) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL11599465 | 0.71 | CA2 (0.41) | CA2CA1CA9ACP3KEAP1 |
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 |