Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2808073 | 0.85 | ALDH1A1 (0.61) | ALDH1A1ALOX15GABRA1GABRB2TSHR | |
| SCHEMBL28853148 | 0.83 | TRPA1 (0.46) | ALDH1A1ALOX15GABRA1GABRB2TSHR | |
| SCHEMBL10593629 | 0.81 | TSHR (0.43) | ALDH1A1ALOX15GABRA1GABRB2TSHR | |
| SCHEMBL9508330 | 0.79 | TSHR (0.41) | ALDH1A1ALOX15GABRA1GABRB2TSHR | |
| SCHEMBL1421189 | 0.79 | ALDH1A1 (0.54) | ALDH1A1ALOX15GABRA1GABRB2TSHR | |
| SCHEMBL9899516 | 0.77 | ALDH1A1 (0.52) | ALDH1A1ALOX15GABRA1GABRB2TSHR | |
| SCHEMBL13408217 | 0.77 | TSHR (0.39) | ALDH1A1ALOX15GABRA1GABRB2TSHR | |
| SCHEMBL17507508 | 0.77 | ACHE (0.39) | ALDH1A1ALOX15GABRA1GABRB2TSHR | |
| SCHEMBL1318701 | 0.77 | TSHR (0.39) | ALDH1A1ALOX15GABRA1GABRB2TSHR | |
| SCHEMBL7949339 | 0.77 | GABRA1 (0.39) | ALDH1A1ALOX15GABRA1GABRB2TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105324374-A | N-substituted acyl-imino-pyridine compounds and derivatives for combating animal pests | BASF SE | 2016-02-10 | — | — | CN | disclosed |
| US-5644004-A | Multi-component ethylenically unsaturated peroxyesters | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1997-07-01 | — | — | US | disclosed |
| US-5420173-A | Curing unsaturated polyesters and peroxyester compositions | ARKEMA INC. | 1995-05-30 | — | — | US | disclosed |