Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.85 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | DDO | Q99489 | 1/20 | 0.50 |
| ▸ | TPMT | P51580 | 1/20 | 0.48 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL185789 | 0.92 | HCAR2 (1.00) | HCAR2ATMCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28807541 | 0.92 | HCAR2 (1.00) | HCAR2ATMCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL29586507 | 0.92 | HCAR2 (1.00) | HCAR2ATMCYP2C9CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1374255 | 0.90 | HCAR2 (0.96) | HCAR2ATMCYP2C9CYP2C19ALDH1A1 | |
| Methyl Alcohol SCHEMBL28625386 | 0.90 | HCAR2 (0.96) | HCAR2ATMCYP2C9CYP2C19ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27341465 | 0.90 | HCAR2 (0.96) | HCAR2ATMCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9507781 | 0.90 | HCAR2 (0.96) | HCAR2ATMCYP2C9CYP2C19ALDH1A1 | |
| Formaldehyde SCHEMBL27662616 | 0.88 | HCAR2 (0.92) | HCAR2ATMCYP2C9CYP2C19ALDH1A1 | |
| Hydrazine SCHEMBL28220034 | 0.88 | HCAR2 (0.92) | HCAR2ATMCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL31134038 | 0.78 | HCAR2 (0.67) | HCAR2ATMCYP2C9CYP2C19ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110437285-B | Artemisinin ruthenium metal complex and preparation method and medical application thereof | 中国中医科学院中药研究所 | 2022-06-10 | — | — | CN | disclosed |
| CN-113150033-A | Artemisinin ruthenium metal complex and preparation method and medical application thereof | 中国中医科学院中药研究所 | 2021-07-23 | — | — | CN | disclosed |
| CN-110437285-A | Qinghaosu ruthenium metal complex and preparation method thereof and medical usage | INST CHINESE MATERIA MEDICA CHINA ACADEMY OF CMS | 2019-11-12 | — | — | CN | disclosed |