Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAALAD2 | Q9Y3Q0 | 3/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | GHSR | Q92847 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL13344348 | 0.81 | NAALAD2 (0.48) | NAALAD2GLATSHRCYP1A2GHSR | |
| SCHEMBL7344053 | 0.79 | NAALAD2 (0.52) | NAALAD2GLATSHRCYP1A2GHSR | |
| Hydrochloric Acid SCHEMBL15253870 | 0.74 | NAALAD2 (0.45) | NAALAD2GLATSHRGHSRALDH1A1 | |
| SCHEMBL10673194 | 0.73 | GLA (0.42) | NAALAD2GLATSHRCYP1A2GHSR | |
| SCHEMBL15254266 | 0.72 | NAALAD2 (0.49) | NAALAD2GLATSHRGHSRALDH1A1 | |
| SCHEMBL8923785 | 0.71 | NAALAD2 (0.49) | NAALAD2GLATSHRCYP1A2GHSR | |
| Hydrochloric Acid SCHEMBL21494705 | 0.71 | NAALAD2 (0.67) | NAALAD2GHSR | |
| Hydrochloric Acid SCHEMBL21494707 | 0.71 | NAALAD2 (0.67) | NAALAD2GHSR | |
| SCHEMBL15254268 | 0.71 | NAALAD2 (0.57) | NAALAD2GLATSHRGHSRGAA | |
| SCHEMBL4134263 | 0.70 | NAALAD2 (0.47) | NAALAD2GLATSHRGHSR |
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-3666769-A1 | NOVEL CASPASE INHIBITORS | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2020-06-17 | — | — | EP | disclosed |