Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.42 |
| ▸ | PTPN5 | P54829 | 5/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13726819 | 1.00 | NR4A2 (0.43) | NR4A2PDCD1CD274PTPN5PDK2 | |
| SCHEMBL18621557 | 0.87 | PDCD1 (0.44) | NR4A2PDCD1CD274PTPN5PDK2 | |
| SCHEMBL13824010 | 0.85 | NR4A2 (0.48) | NR4A2PDCD1CD274PTPN5PDK2 | |
| SCHEMBL30790364 | 0.82 | PDCD1 (0.60) | NR4A2PDCD1CD274PTPN5PDK2 | |
| SCHEMBL9548114 | 0.82 | PDCD1 (0.60) | NR4A2PDCD1CD274PTPN5PDK2 | |
| SCHEMBL13825254 | 0.82 | CD274 (0.66) | PDCD1CD274CTSAHTR1AHTR7 | |
| SCHEMBL19923153 | 0.82 | PDCD1 (0.47) | NR4A2PDCD1CD274PTPN5PDK2 | |
| SCHEMBL27348799 | 0.81 | HTR1A (0.33) | PTPN5PIK3CDPIK3CAPIK3CBSLC9A1 | |
| SCHEMBL31062441 | 0.80 | SUCNR1 (0.44) | CTSA | |
| SCHEMBL23078658 | 0.79 | HSD17B1 (0.44) | NR4A2PDCD1CD274PIK3CDLRRK2 |
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-116969888-A | Cyclopropyl-containing ring derivative, pharmaceutically acceptable salt thereof, and preparation method and application thereof | 优领医药科技（上海）有限公司 | 2023-10-31 | — | — | CN | disclosed |