Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KLK7 | P49862 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6871922 | 0.87 | CYP19A1 (0.54) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL6870681 | 0.85 | ADORA2A (0.49) | ALDH1A1KDM4EHPGDMAPTSMN1; SMN2 | |
| SCHEMBL6872919 | 0.84 | KDM4A (0.52) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL6871806 | 0.83 | ADORA2A (0.42) | ADORA2A | |
| SCHEMBL6867379 | 0.83 | ADORA2A (0.66) | KDM4EADORA2A | |
| SCHEMBL6868100 | 0.81 | ADORA2A (0.44) | ALDH1A1KDM4EHPGDMAPTSMN1; SMN2 | |
| SCHEMBL6867472 | 0.81 | ADORA2A (0.40) | MAPTNPC1RAB9AADORA2A | |
| SCHEMBL6869047 | 0.81 | ADORA2A (0.40) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL6870583 | 0.81 | ADORA2A (0.66) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL6867888 | 0.81 | ADORA2A (0.66) | HSD17B10ADORA2AMAPK1 |
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 |