Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 11/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6871407 | 0.91 | ADORA2A (0.48) | ADORA2AALDH1A1LMNAKMT2A | |
| SCHEMBL6871404 | 0.89 | ADORA2A (0.51) | TP53ADORA2AALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL6871380 | 0.88 | MAPT (0.46) | TP53ADORA2AALDH1A1LMNAHPGD | |
| SCHEMBL6872375 | 0.87 | ADORA2A (0.60) | TP53ADORA2ASMN1; SMN2ADORA1ADORA3 | |
| SCHEMBL6863739 | 0.85 | SMN1; SMN2 (0.54) | TP53ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL6872923 | 0.85 | ADORA2A (0.46) | ADORA2AALDH1A1SMN1; SMN2LMNAADORA1 | |
| SCHEMBL6871216 | 0.84 | ADORA2A (0.44) | TP53ADORA2AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL6873013 | 0.83 | ADORA2A (0.45) | TP53ADORA2ALMNAADORA1ADORA3 | |
| SCHEMBL6868276 | 0.83 | TP53 (0.44) | TP53ADORA2AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL6863096 | 0.82 | SMN1; SMN2 (0.43) | TP53ADORA2AALDH1A1SMN1; SMN2LMNA |
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 2 patents. 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 |
| US-6506772-B1 | Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. | HOFFMANN-LA ROCHE INC. | 2003-01-14 | — | — | US | disclosed |