Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 18/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13923864 | 0.92 | DPP4 (0.59) | DPP4CHRM1CHRM3 | |
| SCHEMBL13944303 | 0.86 | ALDH1A1 (0.49) | DPP4ALDH1A1LMNATSHRNPSR1 | |
| SCHEMBL8271365 | 0.86 | DPP4 (0.63) | DPP4CHRM1 | |
| SCHEMBL13945311 | 0.85 | DPP4 (0.54) | DPP4ALDH1A1LMNATSHRNPSR1 | |
| SCHEMBL8270402 | 0.85 | DPP4 (0.53) | DPP4ALDH1A1LMNATSHRNPSR1 | |
| SCHEMBL13944715 | 0.85 | DPP4 (0.49) | DPP4ALDH1A1LMNATSHRNPSR1 | |
| SCHEMBL13944753 | 0.84 | ALDH1A1 (0.49) | DPP4ALDH1A1LMNATSHRNPSR1 | |
| SCHEMBL13946040 | 0.84 | DPP4 (0.49) | DPP4ALDH1A1LMNATSHRNPSR1 | |
| SCHEMBL13946039 | 0.84 | DPP4 (0.47) | DPP4ALDH1A1LMNATSHRNPSR1 | |
| SCHEMBL8271389 | 0.83 | DPP4 (0.58) | DPP4CHRM1CHRM3 |
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 |