Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8735040 | 0.85 | TLR4 (0.47) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL8735042 | 0.85 | TLR4 (0.47) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL4740933 | 0.78 | NPC1 (0.47) | CYP1A2ALDH1A1 | |
| SCHEMBL11413672 | 0.78 | NPC1 (0.47) | CYP1A2ALDH1A1 | |
| SCHEMBL31619444 | 0.78 | NPC1 (0.47) | CYP1A2ALDH1A1 | |
| SCHEMBL2690407 | 0.77 | CYP1A2 (0.47) | TLR4CYP1A2ALDH1A1CYP19A1 | |
| SCHEMBL9319422 | 0.77 | NPC1 (0.46) | CYP1A2ALDH1A1 | |
| SCHEMBL272161 | 0.77 | NPC1 (0.46) | CYP1A2ALDH1A1 | |
| SCHEMBL487405 | 0.77 | NPC1 (0.46) | CYP1A2ALDH1A1 | |
| SCHEMBL536549 | 0.76 | NPC1 (0.48) | CYP1A2ALDH1A1 |
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-109759058-A | The preparation method of one-step synthesis method alkyl-cyclohexyl cyclohexanone analog liquid crystal intermediates Pd/C catalyst | 西安凯立新材料股份有限公司 | 2019-05-17 | — | — | CN | disclosed |