Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | ADK | P55263 | 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 | |
|---|---|---|---|---|
| SCHEMBL2351935 | 0.75 | RAB9A (0.39) | ADORA3ADORA2AADORA1KDM4EHSD17B10 | |
| SCHEMBL2252222 | 0.68 | PDE10A (0.36) | PDE10AADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL18615118 | 0.67 | KDM4E (0.40) | PDE10AADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL2258004 | 0.65 | CYP1A2 (0.35) | PDE10AKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL2252070 | 0.65 | PDE10A (0.36) | PDE10AADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL1810011 | 0.59 | JAK2 (0.56) | PDE10AADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL2788772 | 0.57 | NUDT1 (0.43) | PDE10AADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL1933307 | 0.57 | NUDT1 (0.43) | PDE10AADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL15903966 | 0.57 | CA12 (0.31) | — | |
| SCHEMBL24590756 | 0.56 | MBOAT4 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2531503-A1 | GAMMA SECRETASE MODULATERS | F. Hoffmann-La Roche AG (CH) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011092272-A1 | GAMMA SECRETASE MODULATERS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-08-04 | — | — | WO | disclosed |