Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 13/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18726009 | 0.91 | NOTUM (0.55) | NOTUMKEAP1MAPK8MAPK10HCRTR1 | |
| SCHEMBL18979229 | 0.81 | DRD2 (0.41) | NOTUMHCRTR1HCRTR2 | |
| SCHEMBL14961974 | 0.80 | NOTUM (0.75) | NOTUMKEAP1 | |
| SCHEMBL29471927 | 0.78 | MAPK8 (0.56) | NOTUMKEAP1MAPK8MAPK10 | |
| SCHEMBL12099625 | 0.75 | NOTUM (0.51) | NOTUMKEAP1MAPK8MAPK10HCRTR1 | |
| SCHEMBL18979222 | 0.73 | CYP2A6 (0.44) | HCRTR1HCRTR2 | |
| SCHEMBL30731222 | 0.73 | NOTUM (0.64) | NOTUMKEAP1 | |
| SCHEMBL2627224 | 0.73 | NOTUM (0.64) | NOTUMKEAP1 | |
| SCHEMBL18979251 | 0.71 | NOTUM (0.54) | NOTUMKEAP1HCRTR1HCRTR2 | |
| SCHEMBL6399910 | 0.71 | ADRA2C (0.55) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2632255-B1 | DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | claimed |
| EP-2683687-B1 | HETEROCYCLIC DERIVATIVES CONTAINING PRIMARY AMINO GROUPS AND DIAZENIUMDIOLATES | MERCK SHARP & DOHME (US) | 2017-04-19 | — | — | EP | claimed |
| EP-2632255-B1 | DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |
| EP-2683687-B1 | HETEROCYCLIC DERIVATIVES CONTAINING PRIMARY AMINO GROUPS AND DIAZENIUMDIOLATES | MERCK SHARP & DOHME (US) | 2017-04-19 | — | — | EP | disclosed |