Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 20/20 | 0.61 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL13923854 | 0.94 | DPP4 (0.62) | DPP4CHRM1KCNH2 | |
| SCHEMBL13946035 | 0.92 | DPP4 (0.51) | DPP4CHRM1KCNH2 | |
| SCHEMBL13923851 | 0.91 | DPP4 (0.67) | DPP4CHRM1 | |
| SCHEMBL1772989 | 0.89 | DPP4 (0.77) | DPP4CHRM1KCNH2 | |
| SCHEMBL1772988 | 0.89 | DPP4 (0.77) | DPP4CHRM1KCNH2 | |
| SCHEMBL8269367 | 0.89 | DPP4 (0.68) | DPP4CHRM1 | |
| SCHEMBL13923884 | 0.87 | DPP4 (0.67) | DPP4CHRM1 | |
| SCHEMBL8268760 | 0.87 | DPP4 (0.62) | DPP4CHRM1 | |
| SCHEMBL13923890 | 0.87 | DPP4 (0.59) | DPP4CHRM1 | |
| SCHEMBL8269947 | 0.87 | DPP4 (0.52) | DPP4CHRM1KCNH2 |
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-7495003-B2 | 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-02-24 | — | — | US | disclosed |
| WO-2006027204-A1 | 8-(3-AMINO-PIPERIDIN-1-YL)-7-(BUT-2-INYL)-XANTHINES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-03-16 | — | — | WO | disclosed |