Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL753876 | 0.77 | MEN1 (0.41) | TAAR1NR3C1NR3C2ALDH1A1GAA | |
| SCHEMBL15752158 | 0.74 | TAAR1 (0.44) | TAAR1NR3C1NR3C2POLBHTT | |
| SCHEMBL28829947 | 0.74 | TAAR1 (0.52) | TAAR1POLBHTTALDH1A1NPC1 | |
| SCHEMBL14609671 | 0.72 | TAAR1 (0.50) | TAAR1POLBHTTALDH1A1NPC1 | |
| SCHEMBL12181446 | 0.72 | TAAR1 (0.50) | TAAR1NR3C1NR3C2POLBHTT | |
| SCHEMBL754036 | 0.72 | KMT2A (0.43) | ALDH1A1GAACA1CA2CA9 | |
| SCHEMBL755591 | 0.72 | TDP1 (0.38) | HTTALDH1A1NPC1RAB9AGAA | |
| SCHEMBL269825 | 0.71 | TAAR1 (0.58) | TAAR1NR3C1NR3C2POLBHTT | |
| SCHEMBL29462885 | 0.71 | TAAR1 (0.58) | TAAR1NR3C1NR3C2POLBHTT | |
| SCHEMBL753767 | 0.70 | ACHE (0.44) | TAAR1NR3C1NR3C2POLBALDH1A1 |
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 |