Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 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 | |
|---|---|---|---|---|
| SCHEMBL6871217 | 0.99 | ADORA2A (0.98) | ADORA2AALDH1A1NPC1TP53HPGD | |
| SCHEMBL7153750 | 0.83 | ADORA2A (0.71) | ADORA2AALDH1A1KDM4E | |
| SCHEMBL6871909 | 0.82 | ADORA2A (0.70) | ADORA2AHPGDKDM4EKMT2A | |
| SCHEMBL6868104 | 0.81 | ADORA2A (0.72) | ADORA2AALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL6867615 | 0.81 | ADORA2A (0.69) | ADORA2AHPGDKMT2A | |
| SCHEMBL6867145 | 0.81 | ADORA2A (0.71) | ADORA2AALDH1A1NPC1HPGDRAB9A | |
| SCHEMBL6867399 | 0.81 | ADORA2A (0.67) | ADORA2AALDH1A1NPC1HPGDRAB9A | |
| SCHEMBL6863814 | 0.80 | ADORA2A (0.67) | ADORA2AHPGDKDM4E | |
| SCHEMBL6869056 | 0.80 | ADORA2A (0.66) | ADORA2AHPGDKMT2A | |
| SCHEMBL6870583 | 0.80 | ADORA2A (0.66) | ADORA2AALDH1A1NPC1TP53HPGD |
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 |