Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CHRNA1 | P02708 | 3/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.46 |
| ▸ | HTR3A | P46098 | 2/20 | 0.46 |
| ▸ | S100A4 | P26447 | 2/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL21851632 | 0.83 | CHRNA1 (0.58) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL21999211 | 0.82 | KCNH2 (0.51) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL22522388 | 0.82 | KCNH2 (0.51) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1793080 | 0.80 | KCNH2 (0.62) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL21851605 | 0.79 | CHRNA1 (0.49) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL17985441 | 0.77 | CHRNA1 (0.72) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL21851634 | 0.73 | CHRNA1 (0.65) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL21851709 | 0.73 | KCNH2 (0.50) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL22522653 | 0.73 | KCNH2 (0.50) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL22522390 | 0.73 | KCNH2 (0.50) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3632918-A1 | LIGAND COMPOUND OF 7 NICOTINIC ACETYLCHOLINE RECEPTOR AND APPLICATION THEREOF | Beijing Normal University (CN) | 2020-04-08 | — | — | EP | disclosed |