Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.38 |
| ▸ | CDK2AP1 | O14519 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27979356 | 0.83 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL27564720 | 0.81 | POLB (0.45) | MKNK1MKNK2CHRM3 | |
| SCHEMBL6621005 | 0.74 | SLC6A4 (0.49) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL30502020 | 0.73 | GPR119 (0.40) | SLC6A2SLC6A4SLC6A3MKNK1MKNK2 | |
| SCHEMBL14349560 | 0.73 | CHRM3 (0.51) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL26133487 | 0.72 | MKNK1 (0.35) | MKNK1MKNK2CHRM3CYP3A4F7 | |
| Trifluoroacetic Acid SCHEMBL21222891 | 0.72 | OPRM1 (0.47) | SLC6A2SLC6A4SLC6A3KCNH2CHRNA4 | |
| SCHEMBL14882112 | 0.71 | CHRM3 (0.51) | CHRM3CYP3A4 | |
| SCHEMBL4244760 | 0.71 | OPRM1 (0.47) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL14349504 | 0.70 | TRPM8 (0.50) | SLC6A2SLC6A4SLC6A3CYP2D6CHRM3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2211865-A2 | COMBINATION COMPRISING PURINE DERIVATIVES AND OTHER COMPOUNDS AND THE USE THEREOF FOR THE TREATMENT OF INFLAMMATORY AND OBSTRUCTIVE AIRWAY DISEASES | Novartis AG (CH) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009050198-A2 | COMBINATION COMPRISING PURINE DERIVATIVES AND OTHER COMPOUNDS AND THE USE THEREOF FOR THE TREATMENT OF INFLAMMATORY AND OBSTRUCTIVE AIRWAY DISEASES | NOVARTIS AG (CH) | 2009-04-23 | — | — | WO | disclosed |
| EP-2013211-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | Novartis AG (CH) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007121920-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | WO | disclosed |