Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL18672383 | 0.75 | CYP3A4 (0.43) | L3MBTL1CYP3A4ALDH1A1CYP2C19POLB | |
| SCHEMBL753815 | 0.74 | TSHR (0.38) | CYP3A4ALDH1A1CYP2C19CA1CA2 | |
| SCHEMBL28936248 | 0.72 | CYP3A4 (0.45) | L3MBTL1CYP3A4ALDH1A1CYP2C19POLB | |
| SCHEMBL2232074 | 0.70 | L3MBTL1 (0.40) | L3MBTL1CYP3A4ALDH1A1CYP2C19POLB | |
| SCHEMBL29414888 | 0.70 | GABRA1 (0.46) | L3MBTL1CYP3A4ALDH1A1CYP2C19CA1 | |
| SCHEMBL4667743 | 0.70 | GABRA1 (0.46) | L3MBTL1CYP3A4ALDH1A1CYP2C19CA1 | |
| SCHEMBL2044282 | 0.70 | GABRA1 (0.46) | L3MBTL1CYP3A4ALDH1A1CYP2C19POLB | |
| SCHEMBL6576803 | 0.70 | GABRA1 (0.46) | L3MBTL1CYP3A4ALDH1A1CYP2C19POLB | |
| SCHEMBL84477 | 0.69 | P2RX7 (0.50) | L3MBTL1CYP3A4ALDH1A1CYP2C19POLB | |
| SCHEMBL25486867 | 0.67 | CYP3A4 (0.43) | L3MBTL1CYP3A4ALDH1A1CYP2C19POLB |
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 |