Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29617028 | 1.00 | ALDH1A1 (0.39) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4822354 | 0.98 | ALDH1A1 (0.41) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4826928 | 0.95 | ALDH1A1 (0.41) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL21964255 | 0.82 | SLC6A4 (0.50) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL21961572 | 0.82 | SLC6A4 (0.50) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL21964328 | 0.80 | SLC6A4 (0.47) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL22867751 | 0.77 | NPC1 (0.36) | ALDH1A1EGFRNFE2L2CYP1A1CYP1B1 | |
| SCHEMBL13107029 | 0.76 | ALDH1A1 (0.44) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL30401410 | 0.75 | PDE4A (0.59) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29025551 | 0.75 | PDE4A (0.59) | ALDH1A1PDE4APDE4BPDE4CPDE4D |
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-3994123-A1 | CHEMICAL INHIBITORS OF ID PROTEINS FOR THE TREATMENT OF CANCER AND OTHER DISEASES | Universität Heidelberg (DE) | 2022-05-11 | — | — | EP | disclosed |