Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6870657 | 0.94 | ADORA2A (0.50) | ADORA2AALDH1A1NPSR1KDM4ELMNA | |
| SCHEMBL6872068 | 0.90 | ADORA2A (0.52) | ADORA2AALDH1A1HPGDPDE11AL3MBTL1 | |
| SCHEMBL6867506 | 0.87 | ADORA2A (0.50) | ADORA2AALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL6870549 | 0.85 | ADORA2A (0.36) | ADORA2ACFTRALDH1A1NPSR1KDM4E | |
| SCHEMBL6871378 | 0.85 | ADORA2A (0.64) | ADORA2ATDP1PDE11AL3MBTL1SMN1; SMN2 | |
| SCHEMBL6863143 | 0.85 | ADORA2A (0.58) | ADORA2ALMNAHPGDPDE11A | |
| SCHEMBL6870680 | 0.83 | ADORA2A (0.60) | ADORA2ACFTRALDH1A1NPSR1KDM4E | |
| SCHEMBL6867673 | 0.83 | ADORA2A (0.48) | ADORA2AHPGDPDE11A | |
| SCHEMBL6871431 | 0.82 | ADORA2A (0.48) | ADORA2AALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL6863779 | 0.82 | ADORA2A (0.43) | ADORA2APDE11A |
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 | claimed |
| 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 | claimed |
| 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 |