Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 16/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.67 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29259953 | 0.95 | SLC22A12 (0.80) | SLC22A12CYP1A2CYP2C9CYP2C19PDE4B | |
| SCHEMBL28899745 | 0.91 | SLC22A12 (0.62) | SLC22A12CYP1A2CYP2C9CYP2C19PDE4B | |
| SCHEMBL29259540 | 0.89 | SLC22A12 (0.66) | SLC22A12CYP1A2CYP2C9CYP2C19PDE4B | |
| SCHEMBL28899772 | 0.87 | SLC22A12 (0.66) | SLC22A12CYP1A2CYP2C9CYP2C19PDE4B | |
| SCHEMBL28899924 | 0.83 | SLC22A12 (0.59) | SLC22A12CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL29259542 | 0.83 | SLC22A12 (0.67) | SLC22A12CYP1A2CYP2C9CYP2C19PDE4B | |
| SCHEMBL29259687 | 0.80 | SLC22A12 (0.59) | SLC22A12CYP1A2CYP2C9CYP2C19PDE4B | |
| SCHEMBL28960090 | 0.80 | SLC22A12 (0.77) | SLC22A12CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL29259536 | 0.80 | SLC22A12 (0.59) | SLC22A12CYP1A2CYP2C9CYP2C19PDE4B | |
| SCHEMBL28899841 | 0.77 | SLC22A12 (0.56) | SLC22A12CYP1A2CYP2C9CYP2C19PDE4B |
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-115417825-B | Five-membered or six-membered fused ring pyrimidine cyclopropyl naphthalene derivative and preparation method and application thereof | 山东大学 | 2024-06-28 | — | — | CN | disclosed |