Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7153750 | 0.85 | ADORA2A (0.71) | ADORA2AALDH1A1HTTKDM4EADORA3 | |
| SCHEMBL6868100 | 0.84 | ADORA2A (0.44) | ADORA2AALDH1A1MAPTGAAHTT | |
| SCHEMBL6870449 | 0.84 | RAB9A (0.45) | ADORA2AALDH1A1MAPTHTTHDAC3 | |
| SCHEMBL6871948 | 0.83 | HDAC2 (0.46) | ADORA2AALDH1A1HTTHDAC3HDAC1 | |
| SCHEMBL6870464 | 0.82 | ADORA2A (0.42) | ADORA2AALDH1A1MAPTGRM5HDAC1 | |
| SCHEMBL6870583 | 0.81 | ADORA2A (0.66) | ADORA2AALDH1A1MAPTGAAHSD17B10 | |
| SCHEMBL6869624 | 0.81 | ADORA2A (0.41) | ADORA2AALDH1A1MAPTHTTALOX15 | |
| SCHEMBL6863748 | 0.79 | ADORA2A (0.64) | ADORA2AALDH1A1MAPTHTTHSD17B10 | |
| SCHEMBL6870384 | 0.79 | ADORA2A (0.58) | ADORA2AALDH1A1MAPTGAAHTT | |
| SCHEMBL6868483 | 0.79 | ADORA2A (0.64) | ADORA2ACYP3A4CYP2C9KCNK3KCNK9 |
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 |