Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 12/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.48 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.48 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2716269 | 0.90 | KDM4E (0.47) | ALDH1A1KDM4EADORA3CA12CA1 | |
| SCHEMBL2309698 | 0.79 | KDM4E (0.55) | ALDH1A1KDM4EPIK3CAPIK3CBPIK3CG | |
| SCHEMBL19911204 | 0.79 | KDM4E (0.47) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL31095588 | 0.79 | KDM4E (0.55) | ALDH1A1KDM4EPIK3CAPIK3CBPIK3CG | |
| SCHEMBL6867485 | 0.78 | ADORA3 (0.43) | ADORA3L3MBTL1ADORA2AADORA1CYP1A2 | |
| SCHEMBL2529771 | 0.76 | NPC1 (0.47) | ALDH1A1KDM4EADORA3CA12CA1 | |
| SCHEMBL8036267 | 0.76 | KDM4E (0.62) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL11362354 | 0.76 | KDM4E (0.58) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL18658437 | 0.75 | ADORA3 (0.54) | KDM4EADORA3PIK3CGL3MBTL1LMNA | |
| SCHEMBL4552644 | 0.75 | LMNA (0.56) | ALDH1A1KDM4EADORA3CA12CA1 |
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 4 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 |
| EP-1347974-A1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-10-01 | — | — | 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 |
| WO-2002048145-A1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-20 | — | — | WO | disclosed |