Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.56 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.56 |
| ▸ | CHRNG | P07510 | 2/20 | 0.56 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.56 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.56 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.56 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.56 |
| ▸ | CHRND | Q07001 | 2/20 | 0.56 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HRH1 | P35367 | 1/20 | 0.56 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL30471336 | 1.00 | CYP2B6 (0.58) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL1093383 | 0.86 | SLC6A2 (0.56) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL20809637 | 0.86 | SLC6A2 (0.56) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL685167 | 0.82 | SLC6A2 (0.60) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL8159886 | 0.82 | SLC6A2 (0.63) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL2599159 | 0.80 | SLC6A2 (0.61) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL11769927 | 0.80 | SLC6A2 (0.61) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL2070613 | 0.80 | SLC6A2 (0.61) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL2599182 | 0.80 | SLC6A2 (0.61) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL5256414 | 0.80 | SLC6A2 (0.61) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG |
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-116283524-A | Beta-hydroxy ketone compound and synthesis method thereof | 南京工业大学 | 2023-06-23 | — | — | CN | disclosed |