Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6863122 | 0.85 | ADORA2A (0.45) | ADORA2AHPGDADORA2BADORA1 | |
| SCHEMBL6871432 | 0.83 | ADORA2A (0.40) | ADORA2AALDH1A1KMT2AHPGDADORA2B | |
| SCHEMBL6868365 | 0.81 | ADORA2A (0.44) | ADORA2AALDH1A1NPSR1RXFP1HPGD | |
| SCHEMBL6871915 | 0.81 | ADORA2A (0.40) | ADORA2AHPGDADORA2BADORA1 | |
| SCHEMBL6871350 | 0.81 | ADORA2A (0.41) | ADORA2AADORA2BADORA1 | |
| SCHEMBL6863143 | 0.81 | ADORA2A (0.58) | ADORA2AHPGDADORA2BADORA1 | |
| SCHEMBL6867623 | 0.81 | F2 (0.43) | ADORA2AALDH1A1KMT2AHPGDADORA2B | |
| SCHEMBL6871431 | 0.81 | ADORA2A (0.48) | ADORA2AALDH1A1KMT2AADORA2BADORA1 | |
| SCHEMBL6871970 | 0.81 | ADORA2A (0.43) | ADORA2AHPGDMAPT | |
| SCHEMBL6870319 | 0.80 | ADORA2A (0.49) | ADORA2AHPGDADORA2BADORA1 |
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 |