Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.73 |
| ▸ | HPGD | P15428 | 1/20 | 0.73 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.73 |
| ▸ | ESR1 | P03372 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28326769 | 0.86 | ALDH1A1 (0.83) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| SCHEMBL29358687 | 0.85 | ALDH1A1 (1.00) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| SCHEMBL50705 | 0.85 | ALDH1A1 (1.00) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| SCHEMBL12078076 | 0.83 | ALDH1A1 (0.95) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| Methyl Alcohol SCHEMBL28496901 | 0.83 | ALDH1A1 (0.95) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| SCHEMBL28661434 | 0.83 | ALDH1A1 (0.95) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| SCHEMBL28492326 | 0.79 | ALDH1A1 (0.86) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| Hydroquinone SCHEMBL10608189 | 0.79 | ALDH1A1 (0.86) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| Bicarbonate SCHEMBL8910747 | 0.78 | ALDH1A1 (0.83) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| Ammonia Solution, Strong SCHEMBL11210265 | 0.77 | ALDH1A1 (0.73) | ALDH1A1HPGDALOX15HSD17B10TDP1 |
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-2006074401-A1 | ALKYLATION OF HYDROXYARENES WITH OLEFINS, ALCOHOLS AND ETHERS IN IONIC LIQUIDS | SI GROUP, INC. (US) | 2006-07-13 | — | — | WO | disclosed |