Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 12/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.51 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12524335 | 0.81 | NOTUM (0.45) | NOTUMKEAP1MAPK8MAPK10HCRTR1 | |
| SCHEMBL18726009 | 0.81 | NOTUM (0.55) | NOTUMKEAP1MAPK8MAPK10HCRTR1 | |
| SCHEMBL29471927 | 0.79 | MAPK8 (0.56) | NOTUMKEAP1MAPK8MAPK10MAPT | |
| SCHEMBL14961974 | 0.79 | NOTUM (0.75) | NOTUMKEAP1 | |
| SCHEMBL12099603 | 0.76 | NOTUM (0.46) | NOTUMKEAP1MAPK8MAPK10HCRTR1 | |
| SCHEMBL3748592 | 0.76 | MAPK8 (0.78) | MAPK8MAPK10 | |
| SCHEMBL18726002 | 0.75 | NOTUM (0.53) | NOTUMKEAP1MAPK8MAPK10HCRTR1 | |
| SCHEMBL19011688 | 0.75 | NOTUM (0.44) | NOTUMKEAP1MAPK8MAPK10HCRTR1 | |
| SCHEMBL11410355 | 0.72 | NOTUM (0.64) | NOTUMKEAP1 | |
| SCHEMBL13097313 | 0.72 | MEN1 (0.53) | CDK1CDK2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2683687-B1 | HETEROCYCLIC DERIVATIVES CONTAINING PRIMARY AMINO GROUPS AND DIAZENIUMDIOLATES | MERCK SHARP & DOHME (US) | 2017-04-19 | — | — | EP | disclosed |
| EP-2683687-A1 | PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | Merck Sharp & Dohme Corp. (US) | 2014-01-15 | — | — | EP | disclosed |
| CN-103492366-A | Primary amine diazeniumdiolate heterocyclic derivatives | MERCK SHARP & DOHME | 2014-01-01 | — | — | CN | disclosed |
| US-8361994-B2 | Primary amine diazeniumdiolate heterocyclic derivatives | MERCK SHARP & DOHME CORP (US) | 2013-01-29 | — | — | US | disclosed |
| WO-2012122077-A1 | PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-09-13 | — | — | WO | disclosed |
| US-20120232039-A1 | PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-09-13 | — | — | 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-20120232039-A1 | PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | EDNRA, PAH, EDNRB | NOTUM 1508/4885KEAP1 217/4885MAPK8 1751/4885 |
“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.