Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | PKM | P14618 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15018169 | 0.83 | CYP2D6 (0.66) | CYP2D6CYP2C9CYP2C19ALDH1A1PKM | |
| SCHEMBL29208934 | 0.81 | CYP2D6 (0.68) | CYP2D6CYP2C9CYP2C19ALDH1A1PKM | |
| SCHEMBL28588864 | 0.80 | CYP2D6 (0.72) | CYP2D6CYP2C9CYP2C19ALDH1A1PKM | |
| SCHEMBL498420 | 0.79 | HDAC1 (0.47) | CYP2D6CYP2C9CYP2C19ALDH1A1PKM | |
| SCHEMBL1472581 | 0.77 | CYP2D6 (0.79) | CYP2D6CYP2C9CYP2C19ALDH1A1PKM | |
| SCHEMBL5655445 | 0.77 | CYP2D6 (0.72) | CYP2D6CYP2C9CYP2C19ALDH1A1PKM | |
| SCHEMBL6127693 | 0.75 | CYP2D6 (0.82) | CYP2D6CYP2C9CYP2C19ALDH1A1PKM | |
| SCHEMBL6127516 | 0.75 | CYP2D6 (0.82) | CYP2D6CYP2C9CYP2C19ALDH1A1PKM | |
| SCHEMBL16296994 | 0.74 | ALDH1A1 (0.60) | CYP2D6CYP2C9CYP2C19ALDH1A1PKM | |
| SCHEMBL5652601 | 0.74 | CYP2D6 (0.79) | CYP2D6CYP2C9CYP2C19ALDH1A1PKM |
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-116487696-A | Nonaqueous electrolyte, lithium ion battery, battery module, battery pack, and power utilization device | 上海如鲲新材料股份有限公司 | 2023-07-25 | — | — | CN | disclosed |