Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL320068 | 1.00 | — | — | |
| SCHEMBL23173031 | 0.90 | EPHX1 (0.52) | MMP1MMP2MMP3MMP9MMP8 | |
| SCHEMBL17120970 | 0.86 | MMP1 (0.43) | MMP1MMP2MMP3MMP9MMP8 | |
| SCHEMBL14198101 | 0.85 | EPHX1 (0.68) | EPHX1KMT2AEPHX2MEN1 | |
| SCHEMBL1233059 | 0.85 | — | — | |
| SCHEMBL21648798 | 0.85 | — | — | |
| SCHEMBL13135023 | 0.85 | EPHX1 (0.61) | EPHX1KMT2AEPHX2MEN1 | |
| SCHEMBL358575 | 0.85 | — | — | |
| SCHEMBL14583891 | 0.85 | — | — | |
| SCHEMBL43908 | 0.83 | — | — |
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-109781903-A | The detection method of impurity in a kind of high effective liquid chromatography for measuring 1,3- diethylurea | 山东新华制药股份有限公司 | 2019-05-21 | — | — | CN | disclosed |