Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 17/20 | 0.45 |
| ▸ | FAP | Q12884 | 4/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13955148 | 0.90 | THRB (0.37) | DPP4FAPTHRBBRAFPIK3CG | |
| SCHEMBL8273216 | 0.87 | DPP4 (0.46) | DPP4FAPCHRM1THRBALDH1A1 | |
| SCHEMBL8271570 | 0.83 | DPP4 (0.48) | DPP4FAPCHRM1THRBALDH1A1 | |
| SCHEMBL8271568 | 0.83 | DPP4 (0.43) | DPP4FAPCHRM1ALDH1A1SMN1; SMN2 | |
| SCHEMBL8273203 | 0.78 | DPP4 (0.46) | DPP4FAPCHRM1 | |
| SCHEMBL3921728 | 0.78 | DPP4 (0.74) | DPP4FAPCHRM1 | |
| SCHEMBL8272354 | 0.78 | DPP4 (0.39) | DPP4FAPALDH1A1SMN1; SMN2HIF1A | |
| SCHEMBL8273233 | 0.77 | DPP4 (0.51) | DPP4FAPCHRM1 | |
| SCHEMBL8271563 | 0.77 | DPP4 (0.48) | DPP4FAPCHRM1ALDH1A1SMN1; SMN2 | |
| SCHEMBL4248892 | 0.77 | DPP4 (0.40) | DPP4FAPCHRM1 |
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 |