Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 13/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | SLC2A9 | Q9NRM0 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 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 | |
|---|---|---|---|---|
| SCHEMBL28899859 | 0.91 | SLC22A12 (0.84) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL28960094 | 0.88 | SLC22A12 (0.72) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL28899777 | 0.83 | SLC22A12 (0.68) | SLC22A12CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL30104170 | 0.83 | SLC22A12 (0.65) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL28899837 | 0.83 | SLC22A12 (0.55) | SLC22A12CYP1A2CYP2C9CYP2C19SRC | |
| SCHEMBL29259789 | 0.82 | SLC22A12 (1.00) | SLC22A12CYP1A2CYP2C9CYP2C19SRC | |
| SCHEMBL28899761 | 0.82 | SLC22A12 (0.61) | SLC22A12CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL30104159 | 0.82 | SLC22A12 (0.63) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL29259548 | 0.81 | SLC22A12 (0.78) | SLC22A12CYP1A2CYP2C9CYP2C19MAPK14 | |
| SCHEMBL28899736 | 0.81 | SLC22A12 (0.61) | SLC22A12CYP1A2CYP2C9CYP2C19MAPT |
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 |