Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 5/20 | 0.42 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.39 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | TRPC5 | Q9UL62 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16046591 | 0.95 | DYRK1A (0.43) | DYRK1ACSNK2A2CSNK2BCTSDBACE1 | |
| Trifluoroacetic Acid SCHEMBL18759408 | 0.89 | MAPT (0.43) | — | |
| Trifluoroacetic Acid SCHEMBL18759424 | 0.89 | GRM1 (0.44) | BACE1MAPK14BRAF | |
| SCHEMBL18759449 | 0.88 | BRAF (0.37) | DYRK1AMAPK14TRPA1BRAF | |
| Trifluoroacetic Acid SCHEMBL18759464 | 0.87 | ADORA3 (0.42) | MAPK14ROCK1ROCK2 | |
| Trifluoroacetic Acid SCHEMBL18759448 | 0.87 | PDE10A (0.38) | MAPK14BRAF | |
| Trifluoroacetic Acid SCHEMBL18759410 | 0.86 | MAPK14 (0.39) | MAPK14TRPA1BRAF | |
| Trifluoroacetic Acid SCHEMBL18759419 | 0.86 | GRM1 (0.41) | MAPK14 | |
| Trifluoroacetic Acid SCHEMBL18759427 | 0.85 | PDE10A (0.38) | MAPK14BRAF | |
| Trifluoroacetic Acid SCHEMBL18759474 | 0.85 | PDE10A (0.44) | — |
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 |