Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 5/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL751699 | 0.81 | TAAR1 (0.43) | TAAR1IDO1AGXTEGFRERBB2 | |
| SCHEMBL753767 | 0.79 | ACHE (0.44) | TAAR1IDO1MAOB | |
| SCHEMBL754038 | 0.79 | PNMT (0.47) | TAAR1IDO1AGXT | |
| SCHEMBL3142824 | 0.77 | TAAR1 (0.54) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL751764 | 0.75 | PLCG1 (0.41) | TAAR1IDO1EGFRERBB2CA1 | |
| SCHEMBL15476972 | 0.74 | TAAR1 (0.50) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL3843548 | 0.74 | TAAR1 (0.50) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL28442171 | 0.74 | TAAR1 (0.50) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL1368311 | 0.74 | TAAR1 (0.50) | TAAR1IDO1AGXTEGFRERBB2 | |
| SCHEMBL30019965 | 0.74 | TAAR1 (0.50) | TAAR1IDO1AGXTEGFRERBB2 |
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 |