Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 11/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 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 | |
|---|---|---|---|---|
| SCHEMBL6868095 | 0.81 | KDM4E (0.53) | ADORA2AHTTKDM4EALDH1A1LMNA | |
| SCHEMBL6870753 | 0.80 | ADORA2A (0.37) | ADORA2A | |
| SCHEMBL6867019 | 0.80 | DYRK1A (0.47) | ADORA2AHTTKDM4EMAP4K4ALDH1A1 | |
| SCHEMBL6867472 | 0.79 | ADORA2A (0.40) | ADORA2A | |
| SCHEMBL6863748 | 0.78 | ADORA2A (0.64) | ADORA2AHTTKDM4EALDH1A1LMNA | |
| SCHEMBL6868478 | 0.78 | ADORA2A (0.64) | ADORA2AHTTKDM4EALDH1A1LMNA | |
| SCHEMBL6868261 | 0.77 | NPC1 (0.48) | ADORA2AHTTKDM4EALDH1A1LMNA | |
| SCHEMBL6870443 | 0.76 | LMNA (0.45) | ADORA2AKDM4EALDH1A1ABL1LMNA | |
| SCHEMBL6869838 | 0.76 | ADORA2A (0.43) | ADORA2AHTTKDM4EALDH1A1LMNA | |
| SCHEMBL6869677 | 0.75 | ADORA2A (0.42) | ADORA2AABL1LMNATP53 |
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 |