Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 13/20 | 0.52 |
| ▸ | CASP5 | P51878 | 13/20 | 0.52 |
| ▸ | CASP4 | P49662 | 11/20 | 0.52 |
| ▸ | GBA1 | P04062 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KLK7 | P49862 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9755213 | 0.84 | CASP1 (0.61) | CASP1CASP5CASP4GBA1MAPT | |
| SCHEMBL9755196 | 0.82 | CASP1 (0.59) | CASP1CASP5CASP4GBA1MAPT | |
| SCHEMBL9640124 | 0.81 | CASP1 (0.59) | CASP1CASP5CASP4GBA1 | |
| SCHEMBL9640546 | 0.77 | GBA1 (0.48) | CASP1CASP5CASP4GBA1 | |
| Propionic Acid SCHEMBL9639465 | 0.76 | CASP1 (0.71) | CASP1CASP5CASP4GBA1ALDH1A1 | |
| SCHEMBL9755199 | 0.74 | GBA1 (0.50) | CASP1CASP5CASP4GBA1 | |
| SCHEMBL9755182 | 0.74 | CASP1 (0.56) | CASP1CASP5CASP4GBA1 | |
| SCHEMBL7776215 | 0.73 | L3MBTL1 (0.54) | GBA1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL9755203 | 0.73 | CASP1 (0.49) | CASP1CASP5CASP4GBA1 | |
| SCHEMBL9689097 | 0.73 | CASP1 (0.58) | CASP1CASP5CASP4KDM4EGAA |
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-0496746-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1992-08-05 | — | — | EP | disclosed |