Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 17/20 | 0.51 |
| ▸ | FAP | Q12884 | 8/20 | 0.51 |
| ▸ | POU2F2 | P09086 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | POU2F1 | P14859 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.38 |
| ▸ | GHSR | Q92847 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13955212 | 0.90 | DPP4 (0.40) | DPP4FAPADORA3HTTHSD17B10 | |
| SCHEMBL4476399 | 0.89 | DPP4 (0.48) | DPP4FAPPOU2F2ADORA3CHRM1 | |
| SCHEMBL8273228 | 0.89 | DPP4 (0.48) | DPP4FAPPOU2F2ADORA3CHRM1 | |
| SCHEMBL4468648 | 0.89 | DPP4 (0.48) | DPP4FAPPOU2F2ADORA3CHRM1 | |
| SCHEMBL8271571 | 0.89 | DPP4 (0.49) | DPP4FAPCHRM1HTTHSD17B10 | |
| SCHEMBL8272342 | 0.87 | DPP4 (0.51) | DPP4FAPPOU2F2ADORA3CHRM1 | |
| SCHEMBL8273216 | 0.85 | DPP4 (0.46) | DPP4FAPPOU2F2ADORA3CHRM1 | |
| SCHEMBL13936241 | 0.84 | DPP4 (0.48) | DPP4FAPPOU2F2ADORA3CHRM1 | |
| SCHEMBL8273204 | 0.84 | DPP4 (0.45) | DPP4FAPCHRM1DPP9HTT | |
| SCHEMBL3917633 | 0.83 | DPP4 (0.54) | DPP4FAPPOU2F2ADORA3CHRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1797093-B1 | NOVEL 3-METHYL-7-BUTINYL-XANTHINES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |
| US-7495002-B2 | 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-02-24 | — | — | US | disclosed |
| WO-2006029769-A1 | NOVEL 3-METHYL-7-BUTINYL-XANTHINES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-03-23 | — | — | WO | disclosed |