Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 14/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4025782 | 0.91 | ADORA1 (0.59) | ADORA1ADORA2AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL4022211 | 0.90 | ADORA1 (0.58) | ADORA1ADORA2AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL4023617 | 0.88 | ADORA1 (0.63) | ADORA1ADORA2AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL4024199 | 0.87 | ADORA1 (0.55) | ADORA1ADORA2AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL6583277 | 0.85 | ADORA1 (0.61) | ADORA1ADORA2AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL4191367 | 0.84 | ADORA1 (0.51) | ADORA1ADORA2AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL4028154 | 0.84 | ADORA1 (0.56) | ADORA1ADORA2AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL5951208 | 0.84 | ADORA1 (0.57) | ADORA1ADORA2AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL5951710 | 0.82 | ADORA1 (0.58) | ADORA1ADORA2AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL4030275 | 0.78 | ADORA1 (0.53) | ADORA1ADORA2AALDH1A1KDM4EHSD17B10 |
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-1377570-B1 | SUBSTITUTED 2-CARBA-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND THE USE OF THE SAME AS SELECTIVE LIGANDS OF THE ADENOSINE RECEPTOR | BAYER HEALTHCARE AG (DE) | 2009-05-13 | — | — | EP | disclosed |