Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | POLH | Q9Y253 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28873084 | 1.00 | XDH (0.53) | XDHKDM4ECYP3A4CYP2D6MEN1 | |
| SCHEMBL28299262 | 0.85 | XDH (0.53) | XDHKDM4ECYP3A4CYP2D6MEN1 | |
| SCHEMBL30081073 | 0.85 | XDH (0.53) | XDHKDM4ECYP3A4CYP2D6MEN1 | |
| SCHEMBL28873088 | 0.85 | XDH (0.48) | XDHKDM4ECYP3A4CYP2D6MEN1 | |
| SCHEMBL30081083 | 0.84 | XDH (0.57) | XDHKDM4ECYP3A4CYP2D6MEN1 | |
| SCHEMBL28297822 | 0.84 | XDH (0.57) | XDHKDM4ECYP3A4CYP2D6MEN1 | |
| SCHEMBL28873073 | 0.83 | NPC1 (0.50) | XDHKDM4ECYP3A4MEN1KMT2A | |
| SCHEMBL28873072 | 0.83 | XDH (0.44) | XDHKDM4ECYP3A4CYP2D6MEN1 | |
| SCHEMBL28873085 | 0.82 | XDH (0.47) | XDHKDM4ECYP3A4CYP2D6MEN1 | |
| SCHEMBL28957483 | 0.82 | XDH (0.50) | XDHKDM4ECYP3A4CYP2D6MEN1 |
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-109721579-B | 7, 8-dehydrograpevine derivatives, preparation method, pharmaceutical composition and use thereof | 中国医学科学院药物研究所 | 2022-11-04 | — | — | CN | disclosed |