Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | RXRG | P48443 | 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 | |
|---|---|---|---|---|
| SCHEMBL29355273 | 0.79 | ALDH1A1 (0.63) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL580584 | 0.79 | ALDH1A1 (0.63) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| Bromomethane SCHEMBL28461678 | 0.73 | ALDH1A1 (0.57) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| Hydrochloric Acid SCHEMBL31147078 | 0.73 | ALDH1A1 (0.57) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| Methylamine SCHEMBL28294592 | 0.73 | ALDH1A1 (0.57) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| Methyl Alcohol SCHEMBL28457865 | 0.73 | ALDH1A1 (0.65) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL7565903 | 0.72 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL4574280 | 0.71 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL6281520 | 0.71 | ALDH1A1 (0.55) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL28606377 | 0.71 | ALDH1A1 (0.55) | ALDH1A1TDP1TSHRCA2GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011032681-A1 | LIPOPHILIC METALLATES | Universität Heidelberg (DE) | 2011-03-24 | — | — | WO | disclosed |