Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.56 |
| ▸ | MAOA | P21397 | 3/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Pyridarone SCHEMBL2109298 | 1.00 | MAOB (0.62) | MAOBADRA2AMAOAALOX5CA1 | |
| Pyridine SCHEMBL28895931 | 0.89 | MAOB (0.59) | MAOBADRA2AMAOAALOX5CA1 | |
| SCHEMBL4659168 | 0.84 | MAOB (0.78) | MAOBADRA2AMAOAALOX5CA1 | |
| SCHEMBL31105656 | 0.84 | MAOB (0.71) | MAOBADRA2AMAOAALOX5CA1 | |
| SCHEMBL731363 | 0.84 | MAOB (0.71) | MAOBADRA2AMAOAALOX5CA1 | |
| SCHEMBL7125605 | 0.81 | MAOB (0.68) | MAOBADRA2AMAOAALOX5CA1 | |
| SCHEMBL3075181 | 0.81 | ADORA2A (0.55) | MAOBADRA2AMAOAALOX5CA1 | |
| SCHEMBL15446906 | 0.81 | MAOB (0.47) | MAOBADRA2AMAOAALOX5CA1 | |
| SCHEMBL2960606 | 0.80 | MAOB (0.54) | MAOBADRA2AMAOAALOX5CA1 | |
| SCHEMBL29993564 | 0.80 | MAOB (0.54) | MAOBADRA2AMAOAALOX5CA1 |
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-115160310-B | Alternanthene derivatives as CDK2/Topo I inhibitors, preparation method thereof and antitumor application thereof | 中国人民解放军北部战区总医院 | 2023-06-23 | — | — | CN | disclosed |
| CN-115160310-A | Sinomenine derivatives as CDK2/Topo I inhibitor, and preparation method and anti-tumor application thereof | 中国人民解放军北部战区总医院 | 2022-10-11 | — | — | CN | disclosed |