Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.49 |
| ▸ | HSP90B1 | P14625 | 3/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | AHCY | P23526 | 2/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.43 |
| ▸ | PNP | P00491 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | NT5E | P21589 | 2/20 | 0.43 |
| ▸ | CD99 | P14209 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL5201758 | 1.00 | ADORA3 (0.49) | ADORA3ADORA2AADORA1HSP90B1HSP90AA1 | |
| SCHEMBL242558 | 1.00 | ADORA3 (0.49) | ADORA3ADORA2AADORA1HSP90B1HSP90AA1 | |
| SCHEMBL293709 | 0.92 | ADORA3 (0.49) | ADORA3ADORA2AADORA1HSP90B1HSP90AA1 | |
| SCHEMBL5201762 | 0.92 | ADORA3 (0.49) | ADORA3ADORA2AADORA1HSP90B1HSP90AA1 | |
| SCHEMBL242559 | 0.92 | ADORA3 (0.49) | ADORA3ADORA2AADORA1HSP90B1HSP90AA1 | |
| SCHEMBL1412148 | 0.91 | LMNA (0.40) | ADORA3ADORA2AADORA1HSP90B1HSP90AA1 | |
| SCHEMBL241442 | 0.91 | LMNA (0.40) | ADORA3ADORA2AADORA1HSP90B1HSP90AA1 | |
| SCHEMBL1401957 | 0.84 | ADORA3 (0.43) | ADORA3ADORA2AADORA1HSP90B1HSP90AA1 | |
| Trifluoroacetic Acid SCHEMBL242557 | 0.84 | AHCY (0.56) | ADORA3ADORA2AADORA1HSP90B1HSP90AA1 | |
| Trifluoroacetic Acid SCHEMBL293707 | 0.84 | AHCY (0.56) | ADORA3ADORA2AADORA1HSP90B1HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |