Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 14/20 | 0.65 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.65 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.65 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4052706 | 0.91 | ADORA2B (0.73) | ADORA2BADORA1ADORA3ADORA2ATSHR | |
| SCHEMBL4055594 | 0.89 | ADORA2B (0.64) | ADORA2BADORA1ADORA3ADORA2ATSHR | |
| SCHEMBL4232083 | 0.86 | ADORA2B (0.53) | ADORA2BADORA1ADORA3ADORA2ATSHR | |
| SCHEMBL4053029 | 0.86 | ADORA2B (0.58) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4053850 | 0.84 | ADORA2B (0.65) | ADORA2BADORA1ADORA3ADORA2ATSHR | |
| SCHEMBL4056662 | 0.84 | ADORA2B (0.84) | ADORA2BADORA1ADORA3ADORA2ATSHR | |
| SCHEMBL4059075 | 0.83 | ADORA2B (0.59) | ADORA2BADORA1ADORA3ADORA2ATSHR | |
| SCHEMBL4229255 | 0.82 | ADORA2B (0.72) | ADORA2BADORA1ADORA3ADORA2ATSHR | |
| SCHEMBL4061321 | 0.80 | ADORA2B (0.61) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4712916 | 0.79 | ADORA2B (0.75) | ADORA2BADORA1ADORA3ADORA2A |
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 |