Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 16/20 | 0.48 |
| ▸ | FAP | Q12884 | 3/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8273216 | 0.84 | DPP4 (0.46) | DPP4FAPCHRM1ALDH1A1HIF1A | |
| SCHEMBL8273224 | 0.83 | DPP4 (0.45) | DPP4FAPCHRM1ALDH1A1HIF1A | |
| SCHEMBL8273203 | 0.77 | DPP4 (0.46) | DPP4FAPCHRM1 | |
| SCHEMBL8273204 | 0.76 | DPP4 (0.45) | DPP4FAPCHRM1HTT | |
| SCHEMBL8272354 | 0.76 | DPP4 (0.39) | DPP4FAPALDH1A1HIF1ASMN1; SMN2 | |
| SCHEMBL13936187 | 0.76 | KMT2A (0.53) | DPP4KMT2A | |
| SCHEMBL8272026 | 0.76 | DPP4 (0.49) | DPP4FAPCHRM1 | |
| SCHEMBL4474936 | 0.76 | DPP4 (0.60) | DPP4FAPCHRM1 | |
| SCHEMBL8271571 | 0.76 | DPP4 (0.49) | DPP4FAPCHRM1HTT | |
| SCHEMBL8272019 | 0.76 | DPP4 (0.42) | DPP4FAPCHRM1ALDH1A1HPGD |
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 4 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 |
| 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 |