Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRCP | P42785 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28632888 | 1.00 | PRCP (0.38) | PRCPHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL30168543 | 0.92 | ESR1 (0.39) | PRCPESR1ESR2CHRNA7GRIN1 | |
| SCHEMBL28615700 | 0.92 | ESR1 (0.39) | PRCPESR1ESR2CHRNA7GRIN1 | |
| SCHEMBL28619047 | 0.88 | PRCP (0.38) | PRCPESR1ESR2CHRNA7GRIN1 | |
| SCHEMBL28616101 | 0.88 | ESR1 (0.42) | PRCPESR1ESR2 | |
| SCHEMBL30168542 | 0.88 | ESR1 (0.42) | PRCPESR1ESR2 | |
| SCHEMBL30168541 | 0.88 | PRCP (0.38) | PRCPESR1ESR2CHRNA7GRIN1 | |
| SCHEMBL28632884 | 0.85 | TRPM8 (0.39) | PRCPHDAC3HDAC1HDAC8NCOR2 | |
| SCHEMBL30168545 | 0.85 | TRPM8 (0.39) | PRCPHDAC3HDAC1HDAC8NCOR2 | |
| SCHEMBL30296818 | 0.83 | AHR (0.36) | PRCPESR1ESR2CHRNA7GRIN1 |
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-113307769-B | 1-alkynyl tetrahydroisoquinoline compound and preparation method thereof | 长江师范学院 | 2023-03-03 | — | — | CN | disclosed |