Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8943555 | 0.69 | ALDH1A1 (0.33) | ALDH1A1ADORA3 | |
| SCHEMBL8943549 | 0.69 | EDNRB (0.35) | — | |
| SCHEMBL9408657 | 0.65 | ALDH1A1 (0.36) | ALDH1A1ADORA3 | |
| SCHEMBL8943529 | 0.64 | EDNRB (0.37) | ALDH1A1KDM4E | |
| SCHEMBL9408631 | 0.63 | ALDH1A1 (0.37) | ALDH1A1KDM4E | |
| SCHEMBL9408670 | 0.63 | EDNRB (0.38) | ALDH1A1ADORA3 | |
| SCHEMBL8943573 | 0.63 | ALDH1A1 (0.38) | ALDH1A1KDM4EADORA3 | |
| SCHEMBL8943379 | 0.61 | EDNRB (0.36) | ALDH1A1ADORA3 | |
| SCHEMBL9408694 | 0.60 | ALOX5 (0.38) | ALDH1A1ADORA3 | |
| SCHEMBL9408675 | 0.60 | ALDH1A1 (0.36) | ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5529977-A | A 3-ALKOXYBUTYRYLIMIDAZOLE COMPOUND | UBE INDUSTRIES, LTD. (JP) | 1996-06-25 | — | — | US | disclosed |