Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.55 |
| ▸ | GUSB | P08236 | 1/20 | 0.55 |
| ▸ | KIF11 | P52732 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL14413854 | 1.00 | NPSR1 (0.69) | NPSR1ALDH1A1L3MBTL1KDM4ETP53 | |
| SCHEMBL19752619 | 0.85 | KIF11 (0.75) | NPSR1ALDH1A1L3MBTL1TP53PDE1C | |
| SCHEMBL3395610 | 0.85 | KIF11 (0.75) | NPSR1ALDH1A1L3MBTL1TP53PDE1C | |
| SCHEMBL19732926 | 0.84 | ALDH1A1 (0.80) | ALDH1A1KDM4ETP53USP2EGFR | |
| SCHEMBL14413835 | 0.84 | ALDH1A1 (0.80) | ALDH1A1KDM4ETP53USP2EGFR | |
| SCHEMBL3398149 | 0.83 | KIF11 (0.71) | NPSR1ALDH1A1L3MBTL1USP2GUSB | |
| SCHEMBL19732923 | 0.82 | USP2 (0.79) | ALDH1A1KDM4ETP53USP2 | |
| SCHEMBL13789190 | 0.82 | USP2 (0.79) | ALDH1A1KDM4ETP53USP2 | |
| SCHEMBL19732955 | 0.82 | USP2 (0.79) | ALDH1A1KDM4ETP53USP2 | |
| SCHEMBL14413255 | 0.82 | PKM (0.68) | NPSR1ALDH1A1USP2GUSBKIF11 |
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-3260446-A1 | ENANTIOSELECTIVE SYNTHESIS OF DIHYDROPYRIMIDINONES AND HEXAHYDROPYRIMIDINONES | Universitat de les Illes Balears (ES) | 2017-12-27 | — | — | EP | disclosed |