Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 17/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 15/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2824784 | 0.86 | ADORA2A (0.59) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL3039095 | 0.84 | ALDH1A1 (0.46) | ADORA2AADORA1MAPK1HSD17B10SMN1; SMN2 | |
| SCHEMBL6691863 | 0.83 | ADORA2A (0.52) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL14217220 | 0.81 | ADORA2A (0.41) | ADORA2AADORA1ADORA2BADORA3SMN1; SMN2 | |
| SCHEMBL8358665 | 0.80 | HPGD (0.44) | ADORA2AADORA1MAPK1KDM4ESMN1; SMN2 | |
| SCHEMBL25323852 | 0.77 | KDM4E (0.68) | MAPK1KDM4EHSD17B10PIK3CBSMN1; SMN2 | |
| SCHEMBL7173118 | 0.74 | ALDH1A1 (0.53) | ADORA2AADORA1MAPK1KDM4ESMN1; SMN2 | |
| SCHEMBL14217221 | 0.74 | MAPT (0.41) | ADORA2AADORA1ADORA2BSMN1; SMN2 | |
| SCHEMBL3055076 | 0.74 | ALDH1A1 (0.60) | ADORA2AADORA1HSD17B10ADORA2BADORA3 | |
| SCHEMBL13362261 | 0.74 | ADORA2A (0.61) | ADORA2AADORA1ADORA2BADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6727247-B2 | ADENOSINE RECEPTOR LIGANDS IN A METHOD OF TREATMENT, CONTROL, OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMAN-LA ROCHE INC. | 2004-04-27 | — | — | US | claimed |