Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | PTPRC | P08575 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6829969 | 1.00 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1PTPRCCDK8 | |
| SCHEMBL4946960 | 0.84 | CYP2A6 (0.64) | CYP2A6CYP2B6CYP2E1PTPRCCDK8 | |
| SCHEMBL7058734 | 0.77 | CYP2A6 (0.70) | CYP2A6CYP2B6CYP2E1PTPRCCDK8 | |
| SCHEMBL3181535 | 0.76 | CYP2A6 (0.54) | CYP2A6CYP2B6CYP2E1PTPRCCDK8 | |
| SCHEMBL27870289 | 0.76 | CYP2A6 (0.67) | CYP2A6CYP2B6CYP2E1PTPRCCDK8 | |
| SCHEMBL26259994 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1PTPRCCDK8 | |
| SCHEMBL26259978 | 0.75 | CYP2A6 (0.58) | CYP2A6CYP2B6CYP2E1PTPRCCDK8 | |
| SCHEMBL1310377 | 0.74 | ALDH1A1 (0.54) | CYP2A6CYP2B6CYP2E1PTPRCCDK8 | |
| SCHEMBL1309148 | 0.74 | CYP2A6 (0.54) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL5190739 | 0.74 | ALDH1A1 (0.54) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 |
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-115745805-A | Synthetic method of phenanthrene and naphthocycloheptene compounds | 南通大学 | 2023-03-07 | — | — | CN | claimed |
| CN-115745805-A | Synthetic method of phenanthrene and naphthocycloheptene compounds | 南通大学 | 2023-03-07 | — | — | CN | disclosed |