Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 13/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29259687 | 0.91 | SLC22A12 (0.59) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28899861 | 0.90 | SLC22A12 (0.67) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28899905 | 0.84 | SLC22A12 (0.66) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28899924 | 0.83 | SLC22A12 (0.59) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL30104179 | 0.83 | SLC22A12 (0.48) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28899749 | 0.83 | SLC22A12 (0.48) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28899741 | 0.82 | SLC22A12 (0.70) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28899772 | 0.82 | SLC22A12 (0.66) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL30104163 | 0.81 | SLC22A12 (0.49) | SLC22A12CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL29259540 | 0.80 | SLC22A12 (0.66) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 |
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-A | Five-membered or six-membered fused ring pyrimidine cyclopropyl naphthalene derivative and preparation method and application thereof | 山东大学 | 2022-12-02 | — | — | CN | disclosed |