Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 8/20 | 0.57 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30104155 | 1.00 | SLC22A12 (0.57) | SLC22A12PDK2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30104164 | 0.84 | SLC22A12 (0.57) | SLC22A12PDK2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28899767 | 0.84 | SLC22A12 (0.57) | SLC22A12PDK2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28899860 | 0.74 | SLC22A12 (0.58) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29259688 | 0.73 | SLC22A12 (1.00) | SLC22A12CYP1A2CYP2C9CYP2C19MAPK8 | |
| SCHEMBL30978152 | 0.73 | SLC22A12 (1.00) | SLC22A12CYP1A2CYP2C9CYP2C19MAPK8 | |
| SCHEMBL29678020 | 0.70 | SLC22A12 (0.46) | SLC22A12PDK2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28914590 | 0.69 | SLC22A12 (0.46) | SLC22A12PDK2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30104166 | 0.69 | SLC22A12 (0.46) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29259538 | 0.69 | 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 |