Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2670107 | 0.79 | CYP2D6 (0.52) | CYP2D6CYP2C19CHRM2ADRA2AADRA2B | |
| SCHEMBL364 | 0.75 | — | — | |
| SCHEMBL231127 | 0.75 | CYP2D6 (0.57) | CYP2D6CYP2C19CHRM2ADRA2AADRA2B | |
| SCHEMBL29635663 | 0.75 | — | — | |
| SCHEMBL2289138 | 0.74 | CYP2D6 (0.50) | CYP2D6CYP2C19CHRM2ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL6775520 | 0.73 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL3529241 | 0.73 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2AADRA2B | |
| Bromide SCHEMBL2900871 | 0.73 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2AADRA2B | |
| Bromide SCHEMBL20591841 | 0.73 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2AADRA2B | |
| SCHEMBL6260224 | 0.73 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2AADRA2B |
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-114573642-B | Precursor aminopyridyl tetramethyl ethylenediamine Ni (II) adduct for information storage material | 许昌学院 | 2024-01-12 | — | — | CN | disclosed |