Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.66 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.66 |
| ▸ | RECQL | P46063 | 2/20 | 0.66 |
| ▸ | SOST | Q9BQB4 | 2/20 | 0.66 |
| ▸ | MEN1 | O00255 | 2/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.66 |
| ▸ | GAA | P10253 | 2/20 | 0.66 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | SYNJ2 | O15056 | 1/20 | 0.59 |
| ▸ | APP | P05067 | 1/20 | 0.59 |
| ▸ | XDH | P47989 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL21722487 | 0.90 | CYP2C9 (0.61) | CYP3A4ALOX15MAPTHSD17B10RECQL | |
| SCHEMBL21738208 | 0.88 | CYP3A4 (0.56) | CYP3A4ALOX15MAPTHSD17B10RECQL | |
| SCHEMBL30350317 | 0.87 | XDH (0.59) | CYP3A4ALOX15MAPTHSD17B10RECQL | |
| SCHEMBL21588097 | 0.87 | XDH (0.59) | CYP3A4ALOX15MAPTHSD17B10RECQL | |
| SCHEMBL21738204 | 0.85 | CYP3A4 (0.66) | CYP3A4ALOX15MAPTHSD17B10RECQL | |
| Tamaraxetin SCHEMBL16887881 | 0.83 | CYP3A4 (0.73) | CYP3A4ALOX15MAPTHSD17B10RECQL | |
| Tamaraxetin SCHEMBL30256267 | 0.83 | CYP3A4 (0.73) | CYP3A4ALOX15MAPTHSD17B10RECQL | |
| Tamaraxetin SCHEMBL18235875 | 0.83 | CYP3A4 (0.73) | CYP3A4ALOX15MAPTHSD17B10RECQL | |
| SCHEMBL21722505 | 0.81 | CYP2C9 (0.59) | CYP3A4ALOX15MAPTHSD17B10RECQL | |
| (+)-Taxifolin SCHEMBL7754279 | 0.81 | CYP3A4 (0.90) | CYP3A4ALOX15MAPTHSD17B10RECQL |
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-110294732-A | Medical compounds and its application for treating hepatopathy | 江苏新元素医药科技有限公司 | 2019-10-01 | — | — | CN | claimed |
| WO-2020035058-A1 | PHARMACEUTICAL COMPOUNDS FOR TREATING LIVER DISEASES AND APPLICATION THEREOF | 江苏新元素医药科技有限公司 | 2020-02-20 | — | — | WO | disclosed |
| CN-110294732-A | Medical compounds and its application for treating hepatopathy | 江苏新元素医药科技有限公司 | 2019-10-01 | — | — | CN | disclosed |