Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 11/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 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 | |
|---|---|---|---|---|
| SCHEMBL28899739 | 0.82 | SLC22A12 (0.69) | SLC22A12CYP2C9CYP2C19CYP1A2PPARG | |
| SCHEMBL28899938 | 0.81 | SLC22A12 (0.82) | SLC22A12CYP2C9CYP2C19CYP1A2PPARG | |
| SCHEMBL30104153 | 0.81 | SLC22A12 (0.82) | SLC22A12CYP2C9CYP2C19CYP1A2PPARG | |
| SCHEMBL28899905 | 0.81 | SLC22A12 (0.66) | SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL28899908 | 0.80 | SLC22A12 (0.75) | SLC22A12CYP2C9CYP2C19CYP1A2PPARG | |
| SCHEMBL28899936 | 0.79 | SLC22A12 (0.81) | SLC22A12CYP2C9CYP2C19CYP1A2PPARG | |
| SCHEMBL29259688 | 0.78 | SLC22A12 (1.00) | SLC22A12CYP2C9CYP2C19CYP1A2PPARG | |
| SCHEMBL30978152 | 0.78 | SLC22A12 (1.00) | SLC22A12CYP2C9CYP2C19CYP1A2PPARG | |
| SCHEMBL30978156 | 0.78 | SLC22A12 (0.58) | SLC22A12CYP2C9CYP2C19CYP1A2PPARG | |
| SCHEMBL28899841 | 0.77 | SLC22A12 (0.56) | SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2 |
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 |