Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.32 |
| ▸ | CHRNG | P07510 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CHRND | Q07001 | 1/20 | 0.32 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | PRCP | P42785 | 1/20 | 0.30 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24712997 | 0.84 | PRCP (0.36) | CD274PRCP | |
| SCHEMBL24712996 | 0.82 | GSTP1 (0.37) | CD274GSTP1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL24712921 | 0.70 | — | — | |
| SCHEMBL24712995 | 0.66 | PRCP (0.50) | PRCP | |
| SCHEMBL24712922 | 0.66 | MEN1 (0.33) | PRCP | |
| SCHEMBL24712918 | 0.65 | HTR5A (0.35) | CD274 | |
| SCHEMBL24712998 | 0.65 | PRCP (0.42) | PRCP | |
| SCHEMBL24712920 | 0.64 | PRNP (0.36) | CD274 | |
| SCHEMBL27864763 | 0.62 | ESR1 (0.39) | GSTP1SLC6A2SLC6A4SLC6A3IKBKB | |
| SCHEMBL24713002 | 0.62 | MEN1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022218391-A1 | CHIRAL SPIRO AMMONIUM SALT COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 西湖大学 | 2022-10-20 | — | — | WO | disclosed |