Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 11/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.32 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.30 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.30 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15362509 | 0.77 | NOTUM (0.38) | NOTUMKEAP1HCRTR1HCRTR2PRKCQ | |
| SCHEMBL12166225 | 0.72 | NOTUM (0.38) | NOTUMKEAP1HCRTR1HCRTR2PRKCQ | |
| SCHEMBL12099625 | 0.71 | NOTUM (0.51) | NOTUMKEAP1HCRTR1HCRTR2SLC6A2 | |
| SCHEMBL12166207 | 0.70 | NOTUM (0.40) | NOTUMKEAP1HCRTR1HCRTR2PRKCQ | |
| SCHEMBL12524335 | 0.69 | NOTUM (0.45) | NOTUMKEAP1HCRTR1HCRTR2PRKCQ | |
| SCHEMBL19011688 | 0.68 | NOTUM (0.44) | NOTUMKEAP1HCRTR1HCRTR2PRKCQ | |
| SCHEMBL12099603 | 0.68 | NOTUM (0.46) | NOTUMKEAP1HCRTR1HCRTR2PRKCQ | |
| SCHEMBL14961974 | 0.66 | NOTUM (0.75) | NOTUMKEAP1 | |
| SCHEMBL15362507 | 0.65 | KMT2A (0.34) | HCRTR1HCRTR2 | |
| SCHEMBL18726009 | 0.64 | NOTUM (0.55) | NOTUMKEAP1HCRTR1HCRTR2MAPK8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2683687-A1 | PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | Merck Sharp & Dohme Corp. (US) | 2014-01-15 | — | — | EP | disclosed |
| WO-2012122077-A1 | PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-09-13 | — | — | WO | disclosed |