Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 13/20 | 0.52 |
| ▸ | CASP1 | P29466 | 6/20 | 0.50 |
| ▸ | CASP5 | P51878 | 6/20 | 0.50 |
| ▸ | CASP4 | P49662 | 5/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9755205 | 0.85 | GBA1 (0.49) | GBA1CASP1CASP5CASP4HRH4 | |
| SCHEMBL9755199 | 0.83 | GBA1 (0.50) | GBA1CASP1CASP5CASP4HRH4 | |
| Hydrochloric Acid SCHEMBL9755192 | 0.81 | CASP1 (0.54) | GBA1CASP1CASP5CASP4HRH4 | |
| SCHEMBL29754406 | 0.76 | CASP1 (0.80) | GBA1CASP1CASP5CASP4HRH4 | |
| SCHEMBL29246743 | 0.74 | KDM4E (0.51) | — | |
| SCHEMBL9755195 | 0.74 | GBA1 (0.49) | GBA1CASP1CASP5CASP4HRH4 | |
| SCHEMBL8962166 | 0.74 | CASP1 (0.77) | GBA1CASP1CASP5CASP4HRH4 | |
| SCHEMBL9640124 | 0.74 | CASP1 (0.59) | GBA1CASP1CASP5CASP4 | |
| Valine SCHEMBL8961949 | 0.72 | GBA1 (0.44) | GBA1CASP1CASP5CASP4HRH4 | |
| SCHEMBL1785534 | 0.72 | ALDH1A1 (0.41) | — |
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-1991006542-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1991-05-16 | — | — | WO | claimed |