Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CHRND | Q07001 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL751741 | 0.73 | CA1 (0.47) | ALDH1A1KMT2AMEN1TSHRPKM | |
| SCHEMBL754508 | 0.73 | CA2 (0.47) | IDO1 | |
| SCHEMBL752253 | 0.71 | ACHE (0.42) | ALDH1A1LMNAL3MBTL1KMT2ATSHR | |
| SCHEMBL799855 | 0.70 | TSHR (0.46) | ALDH1A1LMNAL3MBTL1KMT2AMEN1 | |
| SCHEMBL3951881 | 0.70 | ESR1 (0.54) | ALDH1A1CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL28922495 | 0.69 | ALDH1A1 (0.38) | ALDH1A1LMNAKMT2AMEN1CHRNA1 | |
| SCHEMBL29380184 | 0.69 | PDE2A (0.42) | ALDH1A1MAPTTSHR | |
| SCHEMBL624000 | 0.69 | PDE2A (0.42) | ALDH1A1MAPTTSHR | |
| SCHEMBL751562 | 0.69 | ALDH1A1 (0.50) | ALDH1A1LMNAL3MBTL1KMT2AMEN1 | |
| SCHEMBL751642 | 0.68 | ALDH1A1 (0.42) | ALDH1A1LMNAL3MBTL1KMT2AMEN1 |
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 |