Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL24406055 | 0.74 | ACHE (0.50) | ACHELMNAKIF11CYP3A4CYP2D6 | |
| SCHEMBL753849 | 0.73 | CA1 (0.43) | TSHRKMT2AALDH1A1TDP1L3MBTL1 | |
| SCHEMBL15255849 | 0.72 | ACHE (0.48) | ACHETSHRLMNAKMT2AKIF11 | |
| SCHEMBL17571915 | 0.72 | ACHE (0.42) | ACHELMNAKMT2AKIF11CYP3A4 | |
| SCHEMBL25908570 | 0.71 | ACHE (0.46) | ACHELMNAKMT2AKIF11CYP3A4 | |
| M-Xylene SCHEMBL27875113 | 0.71 | ACHE (0.67) | ACHETSHRLMNAKMT2AALDH1A1 | |
| SCHEMBL16551075 | 0.71 | CDK1 (0.50) | TSHRKMT2ACYP3A4CYP2C19PTPN5 | |
| SCHEMBL18378184 | 0.70 | ACHE (0.50) | ACHETSHRLMNAKIF11CYP3A4 | |
| SCHEMBL7039820 | 0.69 | ACHE (0.44) | ACHELMNAKMT2AKIF11CYP3A4 | |
| SCHEMBL17571919 | 0.69 | LMNA (0.43) | ACHELMNAKMT2AKIF11CYP3A4 |
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 |