Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PRCP | P42785 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 12/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | CCR3 | P51677 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30168542 | 1.00 | ESR1 (0.42) | ESR1ESR2GAAPRCPHTR1A | |
| SCHEMBL30168543 | 0.90 | ESR1 (0.39) | ESR1ESR2GAAPRCP | |
| SCHEMBL28615700 | 0.90 | ESR1 (0.39) | ESR1ESR2GAAPRCP | |
| SCHEMBL30168540 | 0.88 | PRCP (0.38) | ESR1ESR2PRCP | |
| SCHEMBL28632888 | 0.88 | PRCP (0.38) | ESR1ESR2PRCP | |
| SCHEMBL30168541 | 0.87 | PRCP (0.38) | ESR1ESR2GAAPRCP | |
| SCHEMBL28619047 | 0.87 | PRCP (0.38) | ESR1ESR2GAAPRCP | |
| SCHEMBL28632884 | 0.86 | TRPM8 (0.39) | PRCP | |
| SCHEMBL30168545 | 0.86 | TRPM8 (0.39) | PRCP | |
| SCHEMBL28625714 | 0.82 | ESR1 (0.44) | ESR1ESR2GAAPRCPHTR1A |
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-113307769-B | 1-alkynyl tetrahydroisoquinoline compound and preparation method thereof | 长江师范学院 | 2023-03-03 | — | — | CN | disclosed |
| CN-113307769-A | 1-alkynyl tetrahydroisoquinoline compound and preparation method thereof | 长江师范学院 | 2021-08-27 | — | — | CN | disclosed |