Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | BRS3 | P32247 | 5/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | PDE9A | O76083 | 3/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 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 | |
|---|---|---|---|---|
| SCHEMBL22273104 | 0.73 | AAK1 (0.36) | AAK1HTR3AHRH4ADORA2AADORA2B | |
| SCHEMBL15964836 | 0.70 | CHEK2 (0.39) | AAK1ADORA2AADORA2BADORA1PDE9A | |
| SCHEMBL17321270 | 0.69 | ADORA2A (0.40) | AAK1HTR3AHRH4ADORA2AADORA2B | |
| SCHEMBL19980499 | 0.69 | CHEK2 (0.41) | HTR3AHRH4ADORA2AADORA2BADORA1 | |
| SCHEMBL20297400 | 0.68 | PDE9A (0.38) | AAK1HTR3AHRH4ADORA2AADORA2B | |
| SCHEMBL17321276 | 0.68 | ADORA2A (0.41) | AAK1HTR3AHRH4ADORA2AADORA2B | |
| SCHEMBL15964620 | 0.68 | KDM5B (0.40) | AAK1BRS3ADORA2AADORA2BADORA1 | |
| SCHEMBL15964621 | 0.67 | KDM5B (0.41) | HTR3AHRH4BRS3ADORA2AADORA2B | |
| SCHEMBL22048543 | 0.66 | ADORA2A (0.35) | AAK1HTR3AHRH4ADORA2AADORA2B | |
| SCHEMBL22048751 | 0.64 | ADORA2A (0.34) | ADORA2AADORA2BADORA1PDE9APDE1C |
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-2956452-B1 | HETEROCYCLIC AMIDES AS KINASE INHIBITORS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2018-03-21 | — | — | EP | disclosed |