Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL21666076 | 0.75 | GSK3B (0.42) | KDM4E | |
| SCHEMBL17489498 | 0.70 | EGLN1 (0.43) | ALDH1A1FFAR1BRAF | |
| SCHEMBL16958326 | 0.70 | CYP2A6 (0.43) | ALDH1A1CYP2A6FFAR1BRAFAR | |
| SCHEMBL25001727 | 0.69 | CYP3A4 (0.38) | ALDH1A1 | |
| SCHEMBL5258923 | 0.67 | NOTUM (0.48) | ALDH1A1CYP2A6FFAR1 | |
| SCHEMBL26561341 | 0.67 | FFAR1 (0.42) | ALDH1A1CYP2A6KDM4EFFAR1BRAF | |
| SCHEMBL1321345 | 0.67 | ALDH1A1 (0.44) | ALDH1A1KDM4ELMNAGAAFFAR1 | |
| SCHEMBL30373299 | 0.67 | ALDH1A1 (0.44) | ALDH1A1KDM4ELMNAGAAFFAR1 | |
| SCHEMBL16959495 | 0.67 | ALDH1A1 (0.36) | ALDH1A1CYP2A6FFAR1BRAFAR | |
| SCHEMBL27377073 | 0.67 | KMT2A (0.42) | ALDH1A1KDM4EGAA |
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-3604308-A1 | SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | Boehringer Ingelheim International GmbH (DE) | 2020-02-05 | — | — | EP | disclosed |