Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 8/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | PAK4 | O96013 | 3/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | ROS1 | P08922 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30104177 | 0.86 | SLC22A12 (0.61) | SLC22A12CYP1A2CYP2C9CYP2C19PAK4 | |
| SCHEMBL28899860 | 0.83 | SLC22A12 (0.58) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30104166 | 0.83 | SLC22A12 (0.46) | SLC22A12CYP1A2CYP2C9CYP2C19ALK | |
| SCHEMBL28899847 | 0.77 | SLC22A12 (0.48) | SLC22A12CYP1A2CYP2C9CYP2C19AURKB | |
| SCHEMBL30104174 | 0.77 | SLC22A12 (0.65) | SLC22A12CYP1A2CYP2C9CYP2C19PTK2 | |
| SCHEMBL30978154 | 0.77 | SLC22A12 (0.78) | SLC22A12CYP1A2CYP2C9CYP2C19PAK4 | |
| SCHEMBL28899935 | 0.75 | SLC22A12 (0.65) | SLC22A12RETFGFR1FLT1KDR | |
| SCHEMBL28899921 | 0.74 | SLC22A12 (0.41) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30104157 | 0.74 | SLC22A12 (0.41) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29259538 | 0.74 | SLC22A12 (0.61) | SLC22A12CYP1A2CYP2C9CYP2C19IGF1R |
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 2 patents. 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 |
| 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 |