Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | STS | P08842 | 4/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23461873 | 1.00 | CYP2C19 (0.37) | CYP2C19ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23461862 | 0.96 | ALDH1A1 (0.36) | CYP2C19ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28884886 | 0.85 | STS (0.31) | STS | |
| SCHEMBL16111000 | 0.71 | KEAP1 (0.51) | ALDH1A1NPSR1KEAP1NFE2L2LMNA | |
| SCHEMBL2658331 | 0.67 | ENPP3 (0.42) | CYP2C19ALDH1A1CYP2D6NPSR1KEAP1 | |
| SCHEMBL23461697 | 0.66 | NFE2L2 (0.40) | ALDH1A1NPSR1KEAP1NFE2L2LMNA | |
| SCHEMBL2658993 | 0.66 | ENPP3 (0.39) | CYP2C19ALDH1A1CYP3A4CYP2D6KEAP1 | |
| SCHEMBL25332911 | 0.64 | POLB (0.34) | LMNA | |
| SCHEMBL23461535 | 0.64 | NFE2L2 (0.40) | ALDH1A1NPSR1KEAP1NFE2L2LMNA | |
| SCHEMBL2646304 | 0.62 | KEAP1 (0.42) | ALDH1A1NPSR1KEAP1NFE2L2HTR6 |
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-4069216-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS | Flatley Discovery Lab, LLC (US) | 2022-10-12 | — | — | EP | disclosed |