Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | F12 | P00748 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 3/20 | 0.41 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6872486 | 0.96 | ADORA2A (0.56) | ADORA2ARXFP1F12SMN1; SMN2NAAA | |
| SCHEMBL6866973 | 0.85 | BACE1 (0.48) | SMN1; SMN2CAMK2DNAAAEGLN2HTT | |
| SCHEMBL6870133 | 0.85 | ADORA2A (0.59) | ADORA2AF12F2PLGPLAU | |
| SCHEMBL6867628 | 0.84 | ADORA2A (0.60) | ADORA2AF12F2PLAUKLKB1 | |
| SCHEMBL6872186 | 0.83 | SMN1; SMN2 (0.43) | ADORA2ARXFP1SMN1; SMN2KDRNAAA | |
| SCHEMBL6871382 | 0.82 | ADORA2A (0.59) | ADORA2AF12NPC1RAB9AKIT | |
| SCHEMBL6867215 | 0.81 | PLAU (0.47) | SMN1; SMN2CAMK2DF2PLAU | |
| SCHEMBL6870656 | 0.80 | ADORA2A (0.59) | ADORA2AF12F2ATM | |
| SCHEMBL6869823 | 0.80 | ADORA2A (0.56) | ADORA2AF12F2PLGPLAU | |
| SCHEMBL6872074 | 0.80 | ADORA2A (0.56) | ADORA2AF12F2PLAU |
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 1 patent. 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 |