Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 6/20 | 0.54 |
| ▸ | PTPN7 | P35236 | 5/20 | 0.54 |
| ▸ | SELP | P16109 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9743446 | 0.94 | HMGCR (0.59) | HMGCRPTPN7SELPRECQLTDP1 | |
| SCHEMBL9616121 | 0.92 | HMGCR (0.61) | HMGCRPTPN7SELPRECQLTDP1 | |
| SCHEMBL9478127 | 0.92 | HMGCR (0.61) | HMGCRPTPN7SELPRECQLTDP1 | |
| SCHEMBL4595942 | 0.91 | HMGCR (0.60) | HMGCRPTPN7SELPRECQLTDP1 | |
| SCHEMBL3426230 | 0.88 | HMGCR (0.64) | HMGCRPTPN7SELPRECQLTDP1 | |
| SCHEMBL5184571 | 0.88 | HMGCR (0.64) | HMGCRPTPN7SELPRECQLTDP1 | |
| SCHEMBL9743665 | 0.88 | HMGCR (0.64) | HMGCRPTPN7SELPRECQLTDP1 | |
| SCHEMBL9744103 | 0.88 | HMGCR (0.64) | HMGCRPTPN7SELPRECQLTDP1 | |
| SCHEMBL5973569 | 0.88 | HMGCR (0.64) | HMGCRPTPN7SELPRECQLTDP1 | |
| SCHEMBL9743319 | 0.88 | HMGCR (0.64) | HMGCRPTPN7SELPRECQLTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106795174-A | A kind of antiviral activity dinitrogen oxa- ring spiral shell diketopiperazine alcaloid-derivatives and preparation method thereof | 于跃 | 2017-05-31 | — | — | CN | claimed |
| CN-106795174-A | A kind of antiviral activity dinitrogen oxa- ring spiral shell diketopiperazine alcaloid-derivatives and preparation method thereof | 于跃 | 2017-05-31 | — | — | CN | disclosed |