Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 6/20 | 0.40 |
| ▸ | CA2 | P00918 | 6/20 | 0.40 |
| ▸ | CA9 | Q16790 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2A13 | Q16696 | 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 | |
|---|---|---|---|---|
| SCHEMBL753729 | 0.78 | ALDH1A1 (0.46) | TAAR1IDO1HPGDTSHRALDH1A1 | |
| SCHEMBL753876 | 0.78 | MEN1 (0.41) | TAAR1CA2HPGDLMNATSHR | |
| SCHEMBL1691374 | 0.71 | RIPK1 (0.47) | TAAR1IDO1RIPK1LMNACYP2D6 | |
| SCHEMBL263115 | 0.71 | TAAR1 (0.46) | TAAR1IDO1CA1CA2CA9 | |
| SCHEMBL5661830 | 0.71 | TAAR1 (0.46) | TAAR1IDO1PLCG1CA1CA2 | |
| SCHEMBL2396949 | 0.68 | TAAR1 (0.44) | TAAR1IDO1PLCG1CA1CA2 | |
| SCHEMBL271620 | 0.68 | HPGD (0.44) | TAAR1IDO1PLCG1CA1CA2 | |
| SCHEMBL15638695 | 0.68 | TAAR1 (0.50) | TAAR1IDO1CA1CA2CA4 | |
| SCHEMBL10654193 | 0.68 | TAAR1 (0.43) | TAAR1IDO1PLCG1CA1CA2 | |
| SCHEMBL2401345 | 0.68 | RIPK1 (0.45) | TAAR1IDO1RIPK1LMNACYP2D6 |
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 |