Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.56 |
| ▸ | F2 | P00734 | 4/20 | 0.44 |
| ▸ | F12 | P00748 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6866841 | 0.94 | ADORA2A (0.55) | ADORA2AF2F12KDM4EALDH1A1 | |
| SCHEMBL6870680 | 0.94 | ADORA2A (0.60) | ADORA2AF2F12MAPTKLKB1 | |
| SCHEMBL6863310 | 0.93 | ADORA2A (0.64) | ADORA2AF2F12ALDH1A1LMNA | |
| SCHEMBL6873020 | 0.91 | ADORA2A (0.53) | ADORA2AF2F12KDM4EGAA | |
| SCHEMBL6869917 | 0.88 | ADORA2A (0.58) | ADORA2AF2F12KLKB1F10 | |
| SCHEMBL6870656 | 0.86 | ADORA2A (0.59) | ADORA2AF2F12KDM4EALDH1A1 | |
| SCHEMBL6868951 | 0.86 | ADORA2A (0.56) | ADORA2AF2F12PPARGMAPT | |
| SCHEMBL6867223 | 0.86 | ADORA2A (0.60) | ADORA2AF2F12KLKB1 | |
| SCHEMBL6870369 | 0.85 | ADORA2A (0.61) | ADORA2AF2F12 | |
| SCHEMBL6870657 | 0.84 | ADORA2A (0.50) | ADORA2AF2PPARGMAPTTP53 |
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 |