Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 14/20 | 0.75 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.75 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4057447 | 0.86 | ADORA2B (1.00) | ADORA2BADORA1ADORA3ADORA2AKMT2A | |
| SCHEMBL4054171 | 0.83 | ADORA2B (0.93) | ADORA2BADORA1ADORA3ADORA2AKMT2A | |
| SCHEMBL4058517 | 0.83 | ADORA2B (1.00) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4059808 | 0.80 | ADORA2B (0.75) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4059841 | 0.80 | ADORA2B (0.73) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4055040 | 0.79 | ADORA2B (0.73) | ADORA2BADORA1ADORA3ADORA2AKMT2A | |
| SCHEMBL4056571 | 0.79 | ADORA2B (1.00) | ADORA2BADORA1ADORA3ALDH1A1ADORA2A | |
| SCHEMBL4060656 | 0.79 | ADORA2B (0.85) | ADORA2BADORA1ADORA3ALDH1A1ADORA2A | |
| SCHEMBL4055036 | 0.79 | ADORA2B (0.73) | ADORA2BADORA1ADORA3ADORA2AKMT2A | |
| SCHEMBL4715957 | 0.78 | ADORA2B (0.78) | ADORA2BADORA1ADORA3ALDH1A1ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7504398-B2 | potent and selective antagonists of adenosine receptors; Parkinson's disease, asthma, allergies, inflammation, atherosclerosis, hypertension, gastrointestinal disorders, cell proliferation and autoimmune diseases; sulfonamidation | LABORATORIOS ALMIRALL S.A. (ES) | 2009-03-17 | — | — | US | disclosed |
| EP-1492793-B1 | NEW-4-(PYRROLOPYRIMIDIN-6-YL)BENZENESULPHONAMIDE DERIVATIVES | ALMIRALL LAB (ES) | 2008-01-16 | — | — | EP | disclosed |