Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 7/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PRCP | P42785 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16827786 | 0.88 | PDK2 (0.55) | PDK2 | |
| SCHEMBL16828000 | 0.88 | PDK2 (0.55) | PDK2 | |
| SCHEMBL16827677 | 0.88 | PDK2 (0.55) | PDK2 | |
| SCHEMBL16827784 | 0.88 | PDK2 (0.55) | PDK2 | |
| SCHEMBL16827674 | 0.88 | PDK2 (0.55) | PDK2 | |
| SCHEMBL16827999 | 0.88 | PDK2 (0.55) | PDK2 | |
| SCHEMBL19308705 | 0.88 | PDK2 (0.43) | PDK2SMN1; SMN2PRCPMAPTLMNA | |
| SCHEMBL19308643 | 0.88 | PDK2 (0.43) | PDK2SMN1; SMN2PRCPMAPTLMNA | |
| SCHEMBL19308644 | 0.88 | PDK2 (0.43) | PDK2SMN1; SMN2PRCPMAPTLMNA | |
| SCHEMBL16827988 | 0.84 | SMN1; SMN2 (0.56) | SMN1; SMN2MAPTTP53LMNA |
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-9751861-B2 | N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase | MERCK PATENT GMBH (DE) | 2017-09-05 | — | — | US | disclosed |
| US-20160311798-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2016-10-27 | — | — | 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-20160311798-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | PDK1, PDK3, PDK2 | PDK2 3/4885SMN1; SMN2 1712/4885PRCP 1305/4885 |
“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.