Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRCP | P42785 | 2/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.32 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28619047 | 1.00 | PRCP (0.38) | PRCPAHRACHEESR1ESR2 | |
| SCHEMBL30296818 | 0.95 | AHR (0.36) | PRCPAHRACHEESR1ESR2 | |
| SCHEMBL28615700 | 0.90 | ESR1 (0.39) | PRCPAHRESR1ESR2CHRNA7 | |
| SCHEMBL30168543 | 0.90 | ESR1 (0.39) | PRCPAHRESR1ESR2CHRNA7 | |
| SCHEMBL30168540 | 0.88 | PRCP (0.38) | PRCPAHRESR1ESR2CHRNA7 | |
| SCHEMBL28632888 | 0.88 | PRCP (0.38) | PRCPAHRESR1ESR2CHRNA7 | |
| SCHEMBL30168542 | 0.87 | ESR1 (0.42) | PRCPESR1ESR2GAA | |
| SCHEMBL28616101 | 0.87 | ESR1 (0.42) | PRCPESR1ESR2GAA | |
| SCHEMBL30168545 | 0.84 | TRPM8 (0.39) | PRCPKDM4E | |
| SCHEMBL30101771 | 0.82 | PRCP (0.37) | PRCPAHRACHEESR1ESR2 |
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 |