Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3282649 | 0.85 | KDM4E (0.45) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL4704450 | 0.82 | KDM4E (0.47) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL176644 | 0.82 | BCAT2 (0.47) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL7527880 | 0.82 | ALDH1A1 (0.47) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL176816 | 0.81 | KDM4E (0.45) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL14813627 | 0.79 | KDM4E (0.45) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL4915227 | 0.79 | KDM4E (0.45) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL6255375 | 0.78 | KDM4E (0.44) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL1004375 | 0.78 | ALDH1A1 (0.50) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL14696321 | 0.77 | MEN1 (0.48) | KDM4EALDH1A1HPGDMAPTTSHR |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2462141-B1 | NOVEL AZAHETEROCYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2017-09-27 | — | — | EP | claimed |
| US-9023847-B2 | Azaheterocyclic compounds | MERCK PATENT GMBH (DE) | 2015-05-05 | — | — | US | claimed |
| US-20120277228-A1 | Novel Azaheterocyclic Compounds | MERCK PATENT GMBH (DE) | 2012-11-01 | — | — | US | claimed |
| EP-2462141-A1 | NOVEL AZAHETEROCYCLIC COMPOUNDS | Merck Patent GmbH (DE) | 2012-06-13 | — | — | EP | claimed |
| EP-2462141-B1 | NOVEL AZAHETEROCYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2017-09-27 | — | — | EP | disclosed |
| US-9023847-B2 | Azaheterocyclic compounds | MERCK PATENT GMBH (DE) | 2015-05-05 | — | — | US | disclosed |
| WO-2014053533-A1 | USE OF SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AS PHARMACEUTICALS FOR PREVENTION/TREATMENT OF ATRIAL FIBRILLATION | SANOFI (FR) | 2014-04-10 | — | — | WO | disclosed |
| US-8664257-B2 | Oxygen-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals | SANOFI (FR) | 2014-03-04 | — | — | US | disclosed |
| US-20130046004-A1 | OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2013-02-21 | — | — | US | disclosed |
| EP-2528902-A1 | OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2012-12-05 | — | — | EP | disclosed |
| US-20120277228-A1 | Novel Azaheterocyclic Compounds | MERCK PATENT GMBH (DE) | 2012-11-01 | — | — | 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 (2 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-20120277228-A1 | Novel Azaheterocyclic Compounds | PCNA, MCL1, MYC | KDM4E 1252/4885ALDH1A1 1038/4885HPGD 988/4885 |
| US-20130046004-A1 | OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | CTSF, CTSS, CTSE | KDM4E 3142/4885ALDH1A1 581/4885HPGD 343/4885 |
“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.