Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.39 |
| ▸ | PRCP | P42785 | 3/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28615700 | 1.00 | ESR1 (0.39) | ESR1ESR2PRCPCHRNA7GAA | |
| SCHEMBL28632888 | 0.92 | PRCP (0.38) | ESR1ESR2PRCPCHRNA7GRIN1 | |
| SCHEMBL30168540 | 0.92 | PRCP (0.38) | ESR1ESR2PRCPCHRNA7GRIN1 | |
| SCHEMBL30168542 | 0.90 | ESR1 (0.42) | ESR1ESR2PRCPGAA | |
| SCHEMBL28616101 | 0.90 | ESR1 (0.42) | ESR1ESR2PRCPGAA | |
| SCHEMBL30168541 | 0.90 | PRCP (0.38) | ESR1ESR2PRCPCHRNA7GAA | |
| SCHEMBL28619047 | 0.90 | PRCP (0.38) | ESR1ESR2PRCPCHRNA7GAA | |
| SCHEMBL30296818 | 0.90 | AHR (0.36) | ESR1ESR2PRCPCHRNA7GAA | |
| SCHEMBL30296985 | 0.87 | DRD1 (0.44) | GAAGFERGRIN2BSIGMAR1 | |
| SCHEMBL30168545 | 0.87 | TRPM8 (0.39) | PRCP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117384094-A | Preparation method of alkynyl tetrahydroisoquinoline derivative | 江苏中利集团股份有限公司 | 2024-01-12 | — | — | CN | disclosed |
| CN-115894364-A | Preparation method of alkynyl tetrahydroisoquinoline derivatives | 江苏中利集团股份有限公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-113307769-B | 1-alkynyl tetrahydroisoquinoline compound and preparation method thereof | 长江师范学院 | 2023-03-03 | — | — | CN | disclosed |