Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 0.67 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6871339 | 0.99 | ADORA2A (0.68) | ADORA2ANPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL6867145 | 0.85 | ADORA2A (0.71) | ADORA2ANPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL6868104 | 0.84 | ADORA2A (0.72) | ADORA2AALDH1A1HPGD | |
| SCHEMBL7145420 | 0.82 | KDM4A (0.48) | ADORA2ANPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL6871467 | 0.81 | ADORA2A (0.98) | ADORA2AHPGD | |
| SCHEMBL6869091 | 0.81 | ADORA2A (0.98) | ADORA2AHPGD | |
| SCHEMBL6869099 | 0.81 | ADORA2A (0.98) | ADORA2AHPGD | |
| SCHEMBL6867568 | 0.80 | ADORA2A (1.00) | ADORA2AHPGD | |
| SCHEMBL6863438 | 0.79 | ADORA2A (1.00) | ADORA2AALDH1A1HPGDKDM4E | |
| SCHEMBL6871217 | 0.79 | ADORA2A (0.98) | ADORA2ANPC1RAB9ASMN1; SMN2TP53 |
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 |