Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 14/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PCK1 | P35558 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4229255 | 0.87 | ADORA2B (0.72) | ADORA2BADORA1ADORA3ADORA2AKMT2A | |
| SCHEMBL4051486 | 0.81 | ADORA2B (0.71) | ADORA2BADORA1ADORA3ADORA2ALMNA | |
| SCHEMBL4054039 | 0.81 | ADORA2B (0.64) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4051673 | 0.81 | ADORA2B (0.73) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4055594 | 0.80 | ADORA2B (0.64) | ADORA2BADORA1ADORA3ADORA2ALMNA | |
| SCHEMBL4052706 | 0.76 | ADORA2B (0.73) | ADORA2BADORA1ADORA3ADORA2AMEN1 | |
| SCHEMBL4716534 | 0.75 | ADORA2B (0.51) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4052045 | 0.74 | ADORA2B (0.66) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4712380 | 0.74 | ADORA2B (0.57) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4050484 | 0.74 | ADORA2B (0.63) | 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 |