Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL23647746 | 1.00 | ALDH1A1 (0.31) | ALDH1A1POLBMAPTKDM4EHPGD | |
| SCHEMBL23658650 | 0.82 | ALDH1A1 (0.31) | ALDH1A1POLBMAPT | |
| SCHEMBL30005126 | 0.80 | KDM4E (0.40) | ALDH1A1MAPTKDM4EHPGDHSD17B10 | |
| SCHEMBL23648071 | 0.80 | KDM4E (0.40) | ALDH1A1MAPTKDM4EHPGDHSD17B10 | |
| SCHEMBL21624387 | 0.79 | PDE7A (0.39) | ALDH1A1POLBMAPTKDM4EHPGD | |
| SCHEMBL21624357 | 0.79 | ALDH1A1 (0.31) | ALDH1A1POLBMAPT | |
| SCHEMBL30668457 | 0.79 | PDE7A (0.39) | ALDH1A1POLBMAPTKDM4EHPGD | |
| SCHEMBL30668482 | 0.79 | ALDH1A1 (0.31) | ALDH1A1POLBMAPT | |
| SCHEMBL23647801 | 0.76 | — | — | |
| SCHEMBL23658659 | 0.76 | — | — |
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-4090660-A1 | QUINOXALINE DERIVATIVES | Grünenthal GmbH (DE) | 2022-11-23 | — | — | EP | disclosed |