Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 20/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL13946039 | 0.94 | DPP4 (0.47) | DPP4CHRM1CHRM2CHRM3KCNH2 | |
| SCHEMBL13923871 | 0.92 | DPP4 (0.58) | DPP4CHRM1 | |
| SCHEMBL8271361 | 0.89 | DPP4 (0.46) | DPP4CHRM1 | |
| SCHEMBL12649742 | 0.87 | DPP4 (0.59) | DPP4CHRM1 | |
| SCHEMBL13923873 | 0.86 | DPP4 (0.54) | DPP4CHRM1CHRM3 | |
| SCHEMBL13945305 | 0.82 | DPP4 (0.62) | DPP4CHRM1 | |
| SCHEMBL13923865 | 0.81 | DPP4 (0.58) | DPP4CHRM1CHRM3 | |
| SCHEMBL8270374 | 0.80 | DPP4 (0.66) | DPP4 | |
| SCHEMBL13944305 | 0.80 | DPP4 (0.50) | DPP4CHRM1CHRM3 | |
| SCHEMBL8269360 | 0.80 | DPP4 (0.52) | DPP4CHRM1CHRM2CHRM3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |