Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 19/20 | 0.43 |
| ▸ | FAP | Q12884 | 4/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8273218 | 0.87 | DPP4 (0.45) | DPP4FAPCHRM1 | |
| SCHEMBL13936197 | 0.84 | DPP4 (0.42) | DPP4FAPCHRM1 | |
| SCHEMBL8286946 | 0.84 | DPP4 (0.36) | DPP4FAPCHRM1 | |
| SCHEMBL8272029 | 0.83 | DPP4 (0.43) | DPP4FAPCHRM1 | |
| SCHEMBL8273224 | 0.83 | DPP4 (0.45) | DPP4FAPCHRM1ALDH1A1SMN1; SMN2 | |
| SCHEMBL4464028 | 0.81 | DPP4 (0.48) | DPP4FAPCHRM1 | |
| SCHEMBL8272027 | 0.80 | DPP4 (0.60) | DPP4FAPCHRM1 | |
| SCHEMBL4461262 | 0.80 | DPP4 (0.61) | DPP4FAPCHRM1ALDH1A1HIF1A | |
| SCHEMBL8272357 | 0.80 | DPP4 (0.41) | DPP4FAPCHRM1 | |
| SCHEMBL13936192 | 0.79 | DPP4 (0.42) | DPP4FAP |
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-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 |