Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 10/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 6/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28899936 | 0.94 | SLC22A12 (0.81) | SLC22A12CYP1A2CYP2C9CYP2C19PPARG | |
| SCHEMBL28899739 | 0.90 | SLC22A12 (0.69) | SLC22A12CYP1A2CYP2C9CYP2C19PPARG | |
| SCHEMBL28899854 | 0.81 | SLC22A12 (0.68) | SLC22A12CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL28899938 | 0.80 | SLC22A12 (0.82) | SLC22A12CYP1A2CYP2C9CYP2C19PPARG | |
| SCHEMBL30104153 | 0.80 | SLC22A12 (0.82) | SLC22A12CYP1A2CYP2C9CYP2C19PPARG | |
| SCHEMBL28899766 | 0.80 | SLC22A12 (0.65) | SLC22A12CYP1A2CYP2C9CYP2C19PPARG | |
| SCHEMBL30104173 | 0.78 | SLC22A12 (0.64) | SLC22A12CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL30978152 | 0.78 | SLC22A12 (1.00) | SLC22A12CYP1A2CYP2C9CYP2C19PPARG | |
| SCHEMBL29259688 | 0.78 | SLC22A12 (1.00) | SLC22A12CYP1A2CYP2C9CYP2C19PPARG | |
| SCHEMBL29259534 | 0.78 | SLC22A12 (0.82) | SLC22A12CYP1A2CYP2C9CYP2C19PPARG |
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 |