Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL753608 | 0.79 | IDO1 (0.38) | HTR2AALDH1A1IDO1TAAR1EGFR | |
| SCHEMBL750559 | 0.78 | SMN1; SMN2 (0.42) | SLC6A2KMT2AALDH1A1TAAR1CYP1A2 | |
| SCHEMBL754030 | 0.75 | APLNR (0.47) | ALDH1A1IDO1TAAR1CA12CA1 | |
| SCHEMBL3658885 | 0.67 | SLC6A4 (0.56) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| SCHEMBL9479412 | 0.67 | SLC6A4 (0.61) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| SCHEMBL754634 | 0.67 | MAPK1 (0.42) | KMT2AMEN1CYP3A4ALDH1A1MAPK1 | |
| SCHEMBL50384 | 0.66 | — | — | |
| SCHEMBL73498 | 0.66 | SLC6A4 (0.67) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| SCHEMBL28848601 | 0.66 | SLC6A4 (0.67) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| SCHEMBL332504 | 0.66 | SLC6A4 (0.54) | SLC6A2HTR2ASLC6A4HRH1HTR2B |
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 |