Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 16/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6869624 | 0.85 | ADORA2A (0.41) | ADORA2AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL6871503 | 0.84 | ADORA2A (0.43) | ADORA2AKDM4ENPC1ALDH1A1PKM | |
| SCHEMBL6872018 | 0.83 | ADORA2A (0.41) | ADORA2AKDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL6863519 | 0.82 | ADORA2A (0.44) | ADORA2AKDM4ENPC1ALDH1A1PKM | |
| SCHEMBL6869677 | 0.82 | ADORA2A (0.42) | ADORA2A | |
| SCHEMBL6873034 | 0.82 | ADORA2A (0.39) | ADORA2AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL6873063 | 0.81 | MEN1 (0.44) | ADORA2AALDH1A1HPGDRAB9A | |
| SCHEMBL6869619 | 0.81 | MEN1 (0.44) | ADORA2AALDH1A1HPGDRAB9A | |
| SCHEMBL6867527 | 0.80 | ADORA2A (0.38) | ADORA2AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL6863086 | 0.79 | PLAU (0.44) | ADORA2AKDM4EALDH1A1HPGDSMN1; SMN2 |
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-1347974-B1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |