Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.50 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6863049 | 0.94 | ADORA2A (0.45) | ADORA2APDE11AMAPTALDH1A1NPSR1 | |
| SCHEMBL6867506 | 0.93 | ADORA2A (0.50) | ADORA2APDE11AUSP2ALDH1A1KDM4E | |
| SCHEMBL6863143 | 0.90 | ADORA2A (0.58) | ADORA2APDE11ALMNAHPGD | |
| SCHEMBL6872068 | 0.89 | ADORA2A (0.52) | ADORA2APDE11AALDH1A1HPGDHDAC6 | |
| SCHEMBL6863726 | 0.84 | ADORA2A (0.56) | ADORA2APPARGMAPTTP53ALDH1A1 | |
| SCHEMBL6871315 | 0.84 | ADORA2A (0.50) | ADORA2APDE11AALDH1A1GAAHPGD | |
| SCHEMBL6867673 | 0.84 | ADORA2A (0.48) | ADORA2APDE11AHPGDF2 | |
| SCHEMBL6871378 | 0.84 | ADORA2A (0.64) | ADORA2APDE11ATDP1 | |
| SCHEMBL6870319 | 0.83 | ADORA2A (0.49) | ADORA2APDE11AHPGD | |
| SCHEMBL6870562 | 0.83 | ADORA2A (0.48) | ADORA2APDE11AF2 |
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 |