Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 5/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL18759413 | 0.89 | PDE10A (0.37) | BRAFMAPK14GABRA1GABRG2GABRB3 | |
| SCHEMBL18759422 | 0.89 | PDE10A (0.37) | BRAFMAPK14GABRA1GABRG2GABRB3 | |
| Trifluoroacetic Acid SCHEMBL18759454 | 0.88 | DYRK1A (0.42) | BRAFMAPK14DYRK1ATRPA1 | |
| SCHEMBL16046591 | 0.87 | DYRK1A (0.43) | BRAFMAPK14GRM1DYRK1ATRPA1 | |
| Trifluoroacetic Acid SCHEMBL18759424 | 0.85 | GRM1 (0.44) | BRAFMAPK14GRM1DGAT2GABRA1 | |
| SCHEMBL16046950 | 0.85 | MAPK14 (0.49) | BRAFMAPK14GRM1DGAT2GABRA1 | |
| Trifluoroacetic Acid SCHEMBL18759464 | 0.83 | ADORA3 (0.42) | MAPK14GRM1HCRTR1HCRTR2PDE10A | |
| Trifluoroacetic Acid SCHEMBL18759448 | 0.83 | PDE10A (0.38) | BRAFMAPK14GRM1PDE10AKDR | |
| Trifluoroacetic Acid SCHEMBL18759419 | 0.83 | GRM1 (0.41) | MAPK14GRM1HCRTR1HCRTR2PDE10A | |
| Trifluoroacetic Acid SCHEMBL18759410 | 0.83 | MAPK14 (0.39) | BRAFMAPK14PDE10ASMN1; SMN2TRPA1 |
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-2970328-B1 | NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A | ABBVIE DEUTSCHLAND (DE) | 2017-04-26 | — | — | EP | disclosed |