Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1928948 | 0.87 | NFKB1 (0.56) | NFKB1NFKB2RELABTKGAA | |
| SCHEMBL27621669 | 0.81 | NFKB1 (0.44) | NFKB1NFKB2RELABTKGAA | |
| SCHEMBL27621671 | 0.81 | NFKB1 (0.44) | NFKB1NFKB2RELABTKGAA | |
| SCHEMBL1927425 | 0.79 | NFKB1 (0.51) | NFKB1NFKB2RELABTKGAA | |
| SCHEMBL17473176 | 0.79 | NFKB1 (0.43) | NFKB1NFKB2RELABTKGAA | |
| SCHEMBL1515277 | 0.78 | NFKB1 (0.50) | NFKB1NFKB2RELABTKGAA | |
| SCHEMBL6663019 | 0.78 | NFKB1 (0.50) | NFKB1NFKB2RELABTKGAA | |
| SCHEMBL5202686 | 0.78 | NFKB1 (0.50) | NFKB1NFKB2RELABTKGAA | |
| SCHEMBL27476940 | 0.76 | NFKB1 (0.59) | NFKB1NFKB2RELABTKGAA | |
| SCHEMBL5794214 | 0.74 | NFKB1 (0.50) | NFKB1NFKB2RELABTKGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1809544-A | Cyclohexylglycine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO INC (US) | 2006-07-26 | — | — | CN | disclosed |