Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.39 |
| ▸ | PYCR1 | P32322 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
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 | 0.81 | CYP2C19 (0.63) | CYP2C19NR1H2NR1H3CYP2D6NR1H4 | |
| SCHEMBL24327379 | 0.79 | KIF11 (0.50) | CYP2C19NR1H2NR1H3CYP2D6KCNH2 | |
| SCHEMBL12952819 | 0.78 | MAPT (0.45) | CYP1A2CYP2C19LMNAALDH1A1 | |
| SCHEMBL4263451 | 0.77 | TSHR (0.42) | MAPK1NR1H4KCNH2LMNAACHE | |
| SCHEMBL800957 | 0.77 | TSHR (0.42) | MAPK1NR1H4KCNH2LMNAACHE | |
| SCHEMBL9956810 | 0.77 | TSHR (0.42) | MAPK1NR1H4KCNH2LMNAACHE | |
| SCHEMBL5182360 | 0.76 | NR1H2 (0.38) | CYP2C19NR1H2NR1H3CYP2D6NR1H4 | |
| SCHEMBL13581157 | 0.76 | PYCR1 (0.47) | MAPK1CYP2D6PYCR1KCNH2MAOB | |
| SCHEMBL15025946 | 0.76 | KCNH2 (0.56) | MAPK1NR1H4KCNH2LMNAHTR2A | |
| SCHEMBL5758 | 0.76 | TSHR (0.55) | MAPK1LMNAACHEALDH1A1 |
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-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 |