Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 3/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16000814 | 0.87 | HTT (0.36) | HTTGRM5APPBACE1BACE2 | |
| SCHEMBL19416995 | 0.74 | CYP2D6 (0.37) | — | |
| SCHEMBL17644320 | 0.73 | TRPV1 (0.39) | CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL4289160 | 0.71 | TRPV1 (0.52) | — | |
| SCHEMBL3624558 | 0.71 | TRPV1 (0.52) | — | |
| SCHEMBL12686755 | 0.71 | MAPKAPK2 (0.39) | MAPKAPK2ALDH1A1USP2 | |
| SCHEMBL15035158 | 0.70 | TRPV1 (0.41) | — | |
| SCHEMBL14935719 | 0.70 | TRPV1 (0.49) | — | |
| SCHEMBL12073070 | 0.70 | TRPV1 (0.54) | — | |
| SCHEMBL12073818 | 0.70 | TRPV1 (0.49) | — |
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-2709609-B1 | HETEROCYCLIC COMPOUNDS | SHIONOGI & CO (JP) | 2017-10-04 | — | — | EP | disclosed |