Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 2/20 | 0.42 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.34 |
| ▸ | ALDH1B1 | P30837 | 1/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL21379597 | 0.80 | HSD17B3 (0.46) | HSD17B3ALDH2BRD4ALDH1A2ALDH1B1 | |
| SCHEMBL3063473 | 0.77 | HSD17B3 (0.44) | HSD17B3ALDH2BRD4ALDH1A2ALDH1B1 | |
| SCHEMBL1147722 | 0.77 | HSD17B3 (0.51) | HSD17B3ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL2454830 | 0.75 | ALDH1A1 (0.50) | HSD17B3BRD4MAOBALDH1A1KDM4E | |
| SCHEMBL4058366 | 0.73 | RXFP1 (0.47) | HSD17B3BRD4MAOBALDH1A1KDM4E | |
| SCHEMBL20957619 | 0.69 | HSD17B3 (0.58) | HSD17B3ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL1095047 | 0.67 | HSD17B3 (0.44) | HSD17B3ALDH2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL5483956 | 0.66 | MAOB (0.56) | BRD4MAOBALDH1A1KDM4EMAPK1 | |
| SCHEMBL1095044 | 0.66 | HSD17B3 (0.46) | HSD17B3ALDH2ALDH1A2ALDH1B1ALDH1A3 | |
| SCHEMBL6081605 | 0.65 | HSD17B3 (0.43) | HSD17B3MAOBALDH1A1KDM4EHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023237571-A1 | COMPOSITION COMPRISING TWO DIFFERENT SURFACTANTS | MERCK PATENT GMBH (DE) | 2023-12-14 | — | — | WO | disclosed |
| WO-2023083834-A1 | COMPOSITION | MERCK PATENT GMBH (DE) | 2023-05-19 | — | — | WO | disclosed |