Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 16/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.43 |
| ▸ | NT5E | P21589 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL243312 | 0.90 | ADORA2A (0.43) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL1401993 | 0.83 | ADORA1 (0.42) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL242510 | 0.83 | ADORA1 (0.42) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL589387 | 0.81 | ADORA3 (0.58) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL1908715 | 0.81 | HTR2C (0.41) | ADORA3ADORA1ADORA2A | |
| SCHEMBL241618 | 0.81 | LMNA (0.46) | ADORA3ADORA1ADORA2A | |
| SCHEMBL14018046 | 0.80 | HTR2C (0.40) | ADORA3ADORA1ADORA2A | |
| SCHEMBL12050223 | 0.80 | ADORA2A (0.38) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL590069 | 0.79 | ADORA3 (0.51) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL1911346 | 0.78 | ADORA3 (0.50) | ADORA3ADORA1ADORA2AADORA2BNT5E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163754-B2 | inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide | NOVARTIS AG (CH) | 2012-04-24 | — | — | US | disclosed |
| US-8114877-B2 | Antiinflammatory agnets; chronic obstructive pulmonary diseases | NOVARTIS AG (CH) | 2012-02-14 | — | — | US | disclosed |
| EP-2292619-A1 | Purine derivatives for use as adenonsin A-2A receptor agonists | Novartis AG (CH) | 2011-03-09 | — | — | EP | disclosed |