Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 20/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.54 |
| ▸ | FAP | Q12884 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8272023 | 0.90 | DPP4 (0.46) | DPP4KCNH2FAPCHRM1DPP9 | |
| SCHEMBL13936198 | 0.89 | DPP4 (0.55) | DPP4KCNH2FAPCHRM1 | |
| SCHEMBL9290265 | 0.89 | DPP4 (0.49) | DPP4KCNH2FAPCHRM1DPP9 | |
| SCHEMBL4479698 | 0.88 | DPP4 (0.54) | DPP4KCNH2FAPCHRM1DPP9 | |
| SCHEMBL4479704 | 0.88 | DPP4 (0.54) | DPP4KCNH2FAPCHRM1DPP9 | |
| SCHEMBL8273199 | 0.86 | DPP4 (0.49) | DPP4KCNH2FAPCHRM1DPP9 | |
| SCHEMBL13936239 | 0.83 | DPP4 (0.43) | DPP4FAPCHRM1DPP9 | |
| SCHEMBL4472182 | 0.83 | DPP4 (0.58) | DPP4FAPCHRM1DPP9 | |
| SCHEMBL4464092 | 0.83 | DPP4 (0.46) | DPP4KCNH2CHRM1DPP9 | |
| SCHEMBL4464589 | 0.83 | DPP4 (0.49) | DPP4KCNH2FAPCHRM1 |
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 |
| 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 |