Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15785939 | 0.79 | CYP2D6 (0.48) | CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A | |
| SCHEMBL3683164 | 0.78 | ALDH1A1 (0.44) | CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A | |
| SCHEMBL24724667 | 0.76 | CYP2D6 (0.46) | CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A | |
| SCHEMBL316609 | 0.75 | CYP2D6 (0.48) | CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A | |
| SCHEMBL3081251 | 0.75 | HSD17B10 (0.41) | CYP2D6CYP2C19ALDH1A1BRD4SMN1; SMN2 | |
| SCHEMBL364 | 0.75 | — | — | |
| SCHEMBL231127 | 0.75 | CYP2D6 (0.57) | CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A | |
| SCHEMBL29635663 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9114387 | 0.73 | CYP2D6 (0.55) | CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A | |
| Bromide SCHEMBL2900871 | 0.73 | CYP2D6 (0.55) | CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A |
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-115108960-A | Preparation method and application of polysubstituted indole compound | 广东工业大学 | 2022-09-27 | — | — | CN | disclosed |