Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6695094 | 0.81 | ADORA1 (0.40) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL2569036 | 0.79 | ADORA1 (0.46) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL16680707 | 0.76 | TRPV4 (0.39) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL2650101 | 0.74 | ADORA1 (0.47) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL2652911 | 0.73 | ADORA1 (0.39) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL28148660 | 0.73 | ACHE (0.45) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL2650208 | 0.72 | GABRA5 (0.45) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL2575063 | 0.72 | ALDH1A1 (0.40) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL19062287 | 0.72 | ALDH1A1 (0.46) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL16556066 | 0.69 | TRPV4 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004065388-A1 | FLUOROIMIDAZOPYRIMIDINES AS GABA-A ALPHA 2/3 LIGANDS FOR DEPRESSION/ANXIETY | MERCK SHARP & DOHME LIMITED (GB) | 2004-08-05 | — | — | WO | disclosed |