Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.45 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | GHSR | Q92847 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL751562 | 0.77 | ALDH1A1 (0.50) | HSD11B1CA1CA2POLBACHE | |
| SCHEMBL19558261 | 0.74 | ESR1 (0.39) | ESR1THRATHRBHSD11B1ESR2 | |
| SCHEMBL22751066 | 0.74 | ESR1 (0.50) | ESR1THRATHRBESR2SLC6A2 | |
| SCHEMBL6685103 | 0.73 | ESR1 (0.74) | ESR1THRATHRBHSD11B1ESR2 | |
| SCHEMBL753958 | 0.73 | TSHR (0.42) | CA1CA2ALDH1A1 | |
| SCHEMBL751741 | 0.73 | CA1 (0.47) | HSD11B1CA1CA2BCHEACHE | |
| SCHEMBL19454941 | 0.72 | ESR1 (0.58) | ESR1THRATHRBESR2BCHE | |
| SCHEMBL2600037 | 0.69 | ESR1 (0.50) | ESR1THRATHRBHSD11B1CA2 | |
| SCHEMBL19464746 | 0.69 | ESR1 (0.41) | ESR1THRATHRBHSD11B1ESR2 | |
| SCHEMBL13555478 | 0.69 | ESR1 (0.54) | ESR1THRATHRBESR2ALDH1A1 |
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 |