Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.78 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.78 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | CASP1 | P29466 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.59 |
| ▸ | PLG | P00747 | 1/20 | 0.59 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.59 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.59 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.59 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL12301984 | 0.90 | ALDH1A1 (0.63) | ALDH1A1KDM4ESMN1; SMN2HSD17B10TP53 | |
| SCHEMBL16314532 | 0.87 | ALDH1A1 (0.61) | ALDH1A1KDM4ESMN1; SMN2HSD17B10TP53 | |
| SCHEMBL7532504 | 0.84 | HDAC4 (0.60) | ALDH1A1KDM4ESMN1; SMN2NPSR1ENPP2 | |
| SCHEMBL12010061 | 0.83 | ALDH1A1 (0.58) | ALDH1A1KDM4ESMN1; SMN2HSD17B10TP53 | |
| SCHEMBL11457429 | 0.82 | KDM4E (0.63) | ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD | |
| SCHEMBL28801747 | 0.81 | CHRNA7 (0.57) | ALDH1A1KDM4ESMN1; SMN2NPSR1TSHR | |
| SCHEMBL10107498 | 0.80 | ALDH1A1 (0.58) | ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD | |
| SCHEMBL4966815 | 0.80 | ALDH1A1 (0.55) | ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD | |
| SCHEMBL3451539 | 0.80 | DRD2 (0.58) | ALDH1A1KDM4ESMN1; SMN2TP53MEN1 | |
| SCHEMBL3451543 | 0.80 | DRD2 (0.58) | ALDH1A1KDM4ESMN1; SMN2TP53MEN1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3083591-B1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2018-01-03 | — | — | EP | disclosed |
| 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-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-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 |
| 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 |
| 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 |
| EP-3083591-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | Merck Patent GmbH (DE) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015090496-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2015-06-25 | — | — | WO | disclosed |
| WO-2015090496-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2015-06-25 | — | — | WO | 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 | ALDH1A1 109/4885KDM4E 1016/4885SMN1; SMN2 1712/4885 |
“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.