Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10296030 | 0.90 | CYP2C19 (0.63) | CYP2C19NR1H2NR1H3CYP2D6KCNH2 | |
| SCHEMBL24327379 | 0.87 | KIF11 (0.50) | CYP2C19NR1H2NR1H3CYP2D6KCNH2 | |
| SCHEMBL5182360 | 0.84 | NR1H2 (0.38) | CYP2C19NR1H2NR1H3CYP2D6KCNH2 | |
| SCHEMBL5184819 | 0.81 | EPHX1 (0.41) | NR1H2NR1H3CYP2D6KCNH2NR1H4 | |
| SCHEMBL10783875 | 0.80 | LMNA (0.46) | CYP2D6KCNH2NR1H4NR1I2LMNA | |
| SCHEMBL5198365 | 0.80 | HTR1D (0.65) | CYP2D6KCNH2LMNAADRA2AHTR2A | |
| SCHEMBL15706263 | 0.78 | KCNH2 (0.48) | CYP2C19CYP2D6KCNH2NR1H4NR1I2 | |
| SCHEMBL10937976 | 0.78 | CYP2C19 (0.63) | CYP2C19NR1H2NR1H3CYP2D6KCNH2 | |
| SCHEMBL798094 | 0.77 | HRH3 (0.58) | CYP2C19CYP2D6KCNH2NR1H4NR1I2 | |
| SCHEMBL6278267 | 0.77 | ALDH1A1 (0.54) | CYP2C19NR1H2NR1H3CYP2D6LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117659237-A | Supported alpha-diimine nickel catalyst and preparation method and application thereof | 合肥中科科乐新材料有限责任公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-117658851-A | Alpha-diimine ligand, alpha-diimine nickel coordination compound, preparation method and application | 合肥中科科乐新材料有限责任公司 | 2024-03-08 | — | — | CN | disclosed |