Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.33 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| SCHEMBL16241036 | 0.88 | ALDH1A1 (0.68) | ALDH1A1TDP1 | |
| SCHEMBL20124078 | 0.84 | ALDH1A1 (0.65) | ALDH1A1TDP1CACNA2D1CACNB3CACNA1C | |
| SCHEMBL598867 | 0.82 | TRPM8 (0.36) | ALDH1A1TDP1TRPM8 | |
| SCHEMBL24850081 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TDP1 | |
| SCHEMBL18714644 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TDP1 | |
| SCHEMBL26976808 | 0.81 | ALDH1A1 (0.37) | ALDH1A1TDP1TRPM8 | |
| SCHEMBL9343058 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TDP1 | |
| SCHEMBL22745332 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TDP1CACNA2D1CACNB3CACNA1C | |
| SCHEMBL13213193 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TDP1 | |
| SCHEMBL17551536 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TDP1 |
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-2020236621-A1 | ASCAROSIDE DERIVATIVES AND METHODS OF USE | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-11-26 | — | — | WO | disclosed |