Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 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 | |
|---|---|---|---|---|
| SCHEMBL6863124 | 0.95 | ADORA2A (0.49) | ADORA2AKDM4ETDP1ALDH1A1LMNA | |
| SCHEMBL6863393 | 0.94 | ADORA2A (0.50) | ADORA2ACYP3A4KMT2AMEN1 | |
| SCHEMBL6867221 | 0.93 | ADORA2A (0.46) | ADORA2AKDM4ETDP1ALDH1A1LMNA | |
| SCHEMBL6863423 | 0.92 | ADORA2A (0.43) | ADORA2ACYP3A4CYP2D6 | |
| SCHEMBL6871694 | 0.90 | ADORA2A (0.44) | ADORA2ALMNAGAAMAPTTSHR | |
| SCHEMBL6871816 | 0.88 | ADORA2A (0.57) | ADORA2ALMNAHPGDTSHR | |
| SCHEMBL6870537 | 0.86 | ADORA2A (0.62) | ADORA2AHSD17B2HSD17B1 | |
| SCHEMBL6863381 | 0.84 | ADORA2A (0.46) | ADORA2AKDM4EALDH1A1LMNAMAPT | |
| SCHEMBL6863086 | 0.83 | PLAU (0.44) | ADORA2AKDM4EALDH1A1LMNAHPGD | |
| SCHEMBL6863519 | 0.83 | ADORA2A (0.44) | ADORA2AKDM4EALDH1A1HPGD |
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 |