Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 9/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.36 |
| ▸ | WHR1 | P49842 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29259548 | 0.93 | SLC22A12 (0.78) | SLC22A12CYP1A2CYP2C9CYP2C19GPR119 | |
| SCHEMBL28899859 | 0.89 | SLC22A12 (0.84) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL28899763 | 0.88 | SLC22A12 (0.70) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL28899925 | 0.83 | SLC22A12 (0.87) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28899756 | 0.83 | SLC22A12 (0.72) | SLC22A12CYP1A2CYP2C9CYP2C19WHR1 | |
| SCHEMBL30104170 | 0.83 | SLC22A12 (0.65) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL28899857 | 0.82 | SLC22A12 (0.79) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30104159 | 0.82 | SLC22A12 (0.63) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL29259789 | 0.81 | SLC22A12 (1.00) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28899741 | 0.80 | SLC22A12 (0.70) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 |
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 |