Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8689396 | 0.78 | TSHR (0.38) | TSHRALDH1A1TDP1CA2MAPK1 | |
| SCHEMBL14040088 | 0.76 | TSHR (0.32) | TSHRALDH1A1TDP1CA2MAPK1 | |
| SCHEMBL28674993 | 0.76 | TSHR (0.50) | TSHRALDH1A1TDP1GAACA2 | |
| SCHEMBL22689595 | 0.76 | CA2 (0.38) | TSHRCA2MAPK1CA1 | |
| SCHEMBL27652841 | 0.72 | DGAT1 (0.38) | TSHRALDH1A1CA2CA1 | |
| SCHEMBL29444125 | 0.70 | MMP8 (0.47) | TSHRALDH1A1GAA | |
| SCHEMBL12040127 | 0.69 | ALDH1A1 (0.42) | TSHRALDH1A1TDP1 | |
| SCHEMBL27313023 | 0.69 | ALDH1A1 (0.42) | TSHRALDH1A1TDP1 | |
| SCHEMBL4732428 | 0.69 | ALDH1A1 (0.42) | TSHRALDH1A1TDP1 | |
| SCHEMBL803622 | 0.67 | — | — |
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-2390001-A1 | Organoaluminium compounds and their use as catalysts in the selective cyclisation of citronellal to isopulegol | Takasago International Corporation (JP) | 2011-11-30 | — | — | EP | disclosed |