Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 11/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12099625 | 0.81 | NOTUM (0.51) | NOTUMKEAP1MAPK8MAPK10HCRTR2 | |
| SCHEMBL19011688 | 0.80 | NOTUM (0.44) | NOTUMKEAP1MAPK8MAPK10HCRTR2 | |
| SCHEMBL12166207 | 0.77 | NOTUM (0.40) | NOTUMKEAP1MAPK8MAPK10HCRTR2 | |
| SCHEMBL12099603 | 0.77 | NOTUM (0.46) | NOTUMKEAP1MAPK8MAPK10HCRTR2 | |
| SCHEMBL29471927 | 0.75 | MAPK8 (0.56) | NOTUMKEAP1MAPK8MAPK10 | |
| SCHEMBL18726009 | 0.74 | NOTUM (0.55) | NOTUMKEAP1MAPK8MAPK10HCRTR2 | |
| SCHEMBL14961974 | 0.72 | NOTUM (0.75) | NOTUMKEAP1 | |
| SCHEMBL12166225 | 0.71 | NOTUM (0.38) | NOTUMKEAP1MAPK8MAPK10HCRTR2 | |
| SCHEMBL15362509 | 0.71 | NOTUM (0.38) | NOTUMKEAP1HCRTR2HCRTR1PRKCQ | |
| SCHEMBL12489409 | 0.69 | NOTUM (0.40) | NOTUMKEAP1MAPK8MAPK10HCRTR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012122077-A1 | PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-09-13 | — | — | WO | disclosed |