Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL538749 | 0.80 | — | — | |
| SCHEMBL3934067 | 0.78 | ALDH1A1 (0.43) | ALDH1A1GAAMMP1MMP2MMP3 | |
| SCHEMBL4405423 | 0.78 | ALDH1A1 (0.48) | ALDH1A1GAAMMP1MMP2MMP3 | |
| SCHEMBL969221 | 0.78 | ALDH1A1 (0.43) | ALDH1A1GAAMMP1MMP2MMP3 | |
| SCHEMBL23857807 | 0.76 | — | — | |
| SCHEMBL3271951 | 0.76 | — | — | |
| SCHEMBL966999 | 0.76 | — | — | |
| SCHEMBL967318 | 0.74 | — | — | |
| SCHEMBL11614140 | 0.74 | ALDH1A1 (0.45) | ALDH1A1GAAMMP1MMP2MMP3 | |
| SCHEMBL8172250 | 0.74 | — | — |
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 |