Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
| ▸ | PADI1 | Q9ULC6 | 1/20 | 0.34 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL28869230 | 0.84 | ALDH1A1 (0.47) | ALDH1A1EPHX1CHRM3CHRM5CA2 | |
| Cyclopropane SCHEMBL307368 | 0.83 | — | — | |
| SCHEMBL29389744 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CA2SMN1; SMN2KDM4E | |
| Cyclohexane SCHEMBL368257 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CA2SMN1; SMN2KDM4E | |
| Piperidine SCHEMBL28066813 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CHRM3CHRM5PADI1PADI4 | |
| Piperidine SCHEMBL28645406 | 0.82 | ALDH1A1 (0.50) | ALDH1A1EPHX1CHRM3CHRM5CA2 | |
| Pyrrolidine SCHEMBL29788209 | 0.81 | ALDH1A1 (0.56) | ALDH1A1EPHX1CHRM3CHRM5CA2 | |
| Pyrrolidine SCHEMBL28337030 | 0.81 | SMN1; SMN2 (0.42) | ALDH1A1EPHX1CHRM3CHRM5CXCR4 | |
| Pyrrolidine SCHEMBL9400616 | 0.81 | ALDH1A1 (0.42) | ALDH1A1EPHX1CHRM3CHRM5CA2 | |
| Piperidine SCHEMBL7509680 | 0.79 | ALDH1A1 (0.47) | ALDH1A1EPHX1CHRM3CHRM5CA2 |
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-109293517-A | The method for preparing template | 庄信万丰股份有限公司 | 2019-02-01 | — | — | CN | disclosed |