Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 8/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CDC25B | P30305 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28899865 | 0.86 | SLC22A12 (0.59) | SLC22A12CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL30978158 | 0.86 | SLC22A12 (0.59) | SLC22A12CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL30104176 | 0.83 | SLC22A12 (0.46) | SLC22A12CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL28899754 | 0.82 | SLC22A12 (0.51) | SLC22A12CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL30104165 | 0.82 | SLC22A12 (0.61) | SLC22A12CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL30978155 | 0.82 | SLC22A12 (0.51) | SLC22A12CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL30978153 | 0.81 | SLC22A12 (0.66) | SLC22A12CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL28899759 | 0.81 | SLC22A12 (0.66) | SLC22A12CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL29259536 | 0.81 | SLC22A12 (0.59) | SLC22A12CYP1A2CYP2C9CYP2C19PDE4B | |
| SCHEMBL30978156 | 0.80 | SLC22A12 (0.58) | 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 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 |