Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL754849 | 0.79 | TAAR1 (0.46) | TAAR1IDO1MAOB | |
| SCHEMBL754038 | 0.78 | PNMT (0.47) | TAAR1IDO1CTBP2 | |
| SCHEMBL754036 | 0.76 | KMT2A (0.43) | ACHEIDO1ALDH1A1KMT2A | |
| SCHEMBL29941639 | 0.74 | ACHE (0.55) | ACHETAAR1IDO1KMT2ACTBP2 | |
| SCHEMBL758533 | 0.74 | ACHE (0.55) | ACHETAAR1IDO1KMT2ACTBP2 | |
| SCHEMBL19000760 | 0.74 | TAAR1 (0.41) | ACHETAAR1IDO1ALDH1A1KMT2A | |
| SCHEMBL9421726 | 0.73 | FAAH (0.57) | ACHETAAR1IDO1ALDH1A1KMT2A | |
| M-Xylene SCHEMBL27858710 | 0.73 | ACHE (0.67) | ACHELMNAALDH1A1KMT2A | |
| SCHEMBL11551533 | 0.72 | ACHE (0.52) | ACHETAAR1IDO1KMT2ACTBP2 | |
| SCHEMBL4401170 | 0.72 | ALDH1A1 (0.62) | ACHETAAR1IDO1LMNAALDH1A1 |
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 |