Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ADH1A | P07327 | 4/20 | 0.39 |
| ▸ | ADH1C | P00326 | 3/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | PHGDH | O43175 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL3440212 | 0.85 | NOS3 (0.38) | ALDH1A1ADH1AADH1CCXCR4SMN1; SMN2 | |
| SCHEMBL15595 | 0.84 | — | — | |
| SCHEMBL1674941 | 0.84 | ADH1A (0.50) | ALDH1A1ADH1AADH1CFAAHPHGDH | |
| SCHEMBL612962 | 0.84 | ADH1A (0.50) | ALDH1A1ADH1AADH1CFAAHPHGDH | |
| SCHEMBL13356252 | 0.84 | ADH1A (0.50) | ALDH1A1ADH1AADH1CFAAHPHGDH | |
| SCHEMBL283931 | 0.84 | ADH1A (0.50) | ALDH1A1ADH1AADH1CFAAHPHGDH | |
| SCHEMBL28469806 | 0.84 | ADH1A (0.50) | ALDH1A1ADH1AADH1CFAAHPHGDH | |
| SCHEMBL1679002 | 0.84 | ADH1A (0.50) | ALDH1A1ADH1AADH1CFAAHPHGDH | |
| SCHEMBL20733112 | 0.84 | ADH1A (0.50) | ALDH1A1ADH1AADH1CFAAHPHGDH | |
| SCHEMBL3080635 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104151269-B | A kind of N, N-bis-synthetic method of (piperidine methyl)-cyclohexylamine | 烟台恒迪克能源科技有限公司 | 2016-07-06 | — | — | CN | claimed |
| CN-104151269-B | A kind of N, N-bis-synthetic method of (piperidine methyl)-cyclohexylamine | 烟台恒迪克能源科技有限公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-104151269-B | A kind of N, N-bis-synthetic method of (piperidine methyl)-cyclohexylamine | 烟台恒迪克能源科技有限公司 | 2016-07-06 | — | — | CN | disclosed |