Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.50 |
| ▸ | CMA1 | P23946 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6510785 | 0.86 | CYP3A4 (0.49) | ALDH1A1GAAHSD17B10CYP3A4MAPT | |
| SCHEMBL924831 | 0.84 | ALDH1A1 (0.54) | ALDH1A1GAAHSD17B10CYP3A4MAPT | |
| SCHEMBL9146427 | 0.83 | TAAR1 (0.56) | ALDH1A1CYP3A4MAPTSLC6A2SLC6A3 | |
| SCHEMBL30311564 | 0.81 | TAAR1 (0.56) | ALDH1A1GAAHSD17B10CYP3A4MAPT | |
| SCHEMBL6529898 | 0.80 | TAAR1 (0.55) | ALDH1A1GAAHSD17B10CYP3A4SLC6A2 | |
| SCHEMBL92784 | 0.77 | TAAR1 (0.60) | ALDH1A1GAACYP3A4MAPTSLC6A2 | |
| SCHEMBL529821 | 0.75 | TAAR1 (0.62) | ALDH1A1GAACYP3A4MAPTSLC6A2 | |
| SCHEMBL25968392 | 0.75 | TAAR1 (0.54) | ALDH1A1GAAHSD17B10CYP3A4MAPT | |
| SCHEMBL9153832 | 0.75 | MMP1 (0.59) | ALDH1A1CYP3A4MAPTSLC6A2SLC6A3 | |
| SCHEMBL429483 | 0.74 | TAAR1 (0.67) | ALDH1A1CYP3A4MAPTSLC6A2SLC6A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005070915-A1 | 1,3-BENZODIOXOL-5-YLMETHYL METHYL SULFONE AND ITS DERIVATIVES, PREPARATION METHOD THEREOF AND WHITENING COMPOSITION CONTAINING THE SAME | HAN, SANG MIN (KR) | 2005-08-04 | — | — | WO | claimed |
| WO-2005070915-A1 | 1,3-BENZODIOXOL-5-YLMETHYL METHYL SULFONE AND ITS DERIVATIVES, PREPARATION METHOD THEREOF AND WHITENING COMPOSITION CONTAINING THE SAME | HAN, SANG MIN (KR) | 2005-08-04 | — | — | WO | disclosed |