Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 13/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4468325 | 1.00 | KMT2A (0.52) | KMT2ADPP4MAPTALDH1A1HIF1A | |
| SCHEMBL4460766 | 0.84 | DPP4 (0.48) | KMT2ADPP4 | |
| SCHEMBL4488433 | 0.82 | KMT2A (0.52) | KMT2ADPP4 | |
| SCHEMBL4488426 | 0.82 | KMT2A (0.52) | KMT2ADPP4 | |
| SCHEMBL4487837 | 0.81 | KMT2A (0.60) | KMT2ADPP4ALDH1A1SMN1; SMN2 | |
| SCHEMBL4248869 | 0.81 | DPP4 (0.67) | KMT2ADPP4PKM | |
| SCHEMBL4248871 | 0.81 | DPP4 (0.67) | KMT2ADPP4PKM | |
| SCHEMBL4470822 | 0.79 | DPP4 (0.70) | DPP4MAPT | |
| SCHEMBL4466201 | 0.79 | DPP4 (0.59) | DPP4MAPT | |
| SCHEMBL4478237 | 0.79 | DPP4 (0.70) | DPP4MAPT |
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 |
| US-20060079541-A1 | 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-04-13 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060079541-A1 | 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions | DPP4, DPP7, DPP3 | KMT2A 2557/4885DPP4 1/4885MAPT 387/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.