Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ECE1 | P42892 | 1/20 | 0.31 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
| ▸ | ACE | P12821 | 1/20 | 0.31 |
| ▸ | CPA1 | P15085 | 1/20 | 0.31 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10140886 | 0.80 | CYP2D6 (0.50) | CYP2D6CYP2C19ALDH1A1LMNAMAPT | |
| SCHEMBL8025049 | 0.80 | CYP2D6 (0.39) | CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL9007638 | 0.76 | CYP2D6 (0.38) | CYP2D6CYP2C19 | |
| SCHEMBL23354337 | 0.74 | CYP2D6 (0.44) | CYP2D6CYP2C19ALDH1A1LMNAMAPT | |
| SCHEMBL28101557 | 0.72 | — | — | |
| SCHEMBL628753 | 0.72 | — | — | |
| SCHEMBL6729103 | 0.72 | — | — | |
| SCHEMBL23354878 | 0.71 | CYP2D6 (0.41) | CYP2D6CYP2C19ALDH1A1LMNAMAPT | |
| SCHEMBL17364902 | 0.67 | — | — | |
| SCHEMBL3008983 | 0.67 | ALDH1A1 (0.61) | CYP2D6CYP2C19ALDH1A1LMNAMAPT |
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-0132304-A2 | Hydroxy substituted peptide compounds | E.R. Squibb & Sons, Inc. (US) | 1985-01-30 | — | — | EP | disclosed |