Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL753693 | 0.81 | RAPGEF4 (0.37) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL750643 | 0.78 | FLT1 (0.36) | ALDH1A1LMNATSHRTDP1MEN1 | |
| SCHEMBL752097 | 0.78 | CA1 (0.36) | ALDH1A1CA1CA2ALOX15HSD17B10 | |
| SCHEMBL751562 | 0.76 | ALDH1A1 (0.50) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL21288350 | 0.75 | TSHR (0.48) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL753815 | 0.72 | TSHR (0.38) | ALDH1A1CA1CA2CA9TSHR | |
| SCHEMBL24816185 | 0.70 | TSHR (0.37) | ALDH1A1NR1I2CA1CA2LMNA | |
| SCHEMBL12773796 | 0.70 | PDE2A (0.49) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL17998019 | 0.70 | CA1 (0.44) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL9843456 | 0.68 | LMNA (0.53) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 |
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 |