Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 14/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.34 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | PAK4 | O96013 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30104170 | 0.91 | SLC22A12 (0.65) | SLC22A12CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL29259789 | 0.88 | SLC22A12 (1.00) | SLC22A12CYP1A2CYP2C9CYP2C19RXRA | |
| SCHEMBL30978157 | 0.86 | SLC22A12 (0.76) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30104162 | 0.81 | SLC22A12 (0.74) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29259548 | 0.81 | SLC22A12 (0.78) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30104178 | 0.81 | SLC22A12 (0.84) | SLC22A12CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL30104174 | 0.81 | SLC22A12 (0.65) | SLC22A12CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL28899859 | 0.80 | SLC22A12 (0.84) | SLC22A12CYP1A2CYP2C9CYP2C19GSK3B | |
| SCHEMBL30104168 | 0.79 | SLC22A12 (0.84) | SLC22A12CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL30104159 | 0.78 | SLC22A12 (0.63) | SLC22A12CYP1A2CYP2C9CYP2C19ALK |
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 |