Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 4/20 | 0.41 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | PPARA | Q07869 | 4/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.39 |
| ▸ | RELA | Q04206 | 2/20 | 0.39 |
| ▸ | CTSS | P25774 | 4/20 | 0.39 |
| ▸ | CTSK | P43235 | 4/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16119293 | 0.96 | KLK5 (0.44) | ALDH1A1KLK5KDM4ECACNA1BNFKB1 | |
| SCHEMBL6908318 | 0.96 | KLK5 (0.44) | ALDH1A1KLK5KDM4ECACNA1BNFKB1 | |
| SCHEMBL16228157 | 0.96 | KLK5 (0.44) | ALDH1A1KLK5KDM4ECACNA1BNFKB1 | |
| SCHEMBL16119290 | 0.85 | ACE (0.48) | ALDH1A1PPARGPPARACTSSCTSK | |
| SCHEMBL16228847 | 0.85 | ACE (0.48) | ALDH1A1PPARGPPARACTSSCTSK | |
| SCHEMBL16119295 | 0.83 | CTSS (0.41) | CTSSCTSK | |
| SCHEMBL16119115 | 0.82 | ACE (0.41) | ALDH1A1KDM4ECACNA1BCTSSCTSK | |
| SCHEMBL12091407 | 0.81 | KLK5 (0.43) | ALDH1A1KLK5KDM4ENFKB1NFKB2 | |
| SCHEMBL17483753 | 0.81 | JAK3 (0.47) | CACNA1BCTSSCTSK | |
| SCHEMBL17483752 | 0.81 | CTSK (0.38) | CACNA1BPPARGPPARACTSSCTSK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5688946-A | DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | HOFFMANN LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |
| EP-0416373-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-03-13 | — | — | EP | disclosed |