Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.35 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157931 | 0.86 | GAA (0.38) | GAATOP2ATOP2BL3MBTL1SMN1; SMN2 | |
| SCHEMBL20157890 | 0.85 | OPRK1 (0.35) | OPRK1HTTGAATOP2ATOP2B | |
| SCHEMBL20157860 | 0.83 | PDE10A (0.38) | GAATOP2ATOP2BALDH1A1 | |
| SCHEMBL6442604 | 0.78 | LMNA (0.38) | OPRK1TOP2ATOP2BTUBB1SMN1; SMN2 | |
| SCHEMBL1682164 | 0.75 | TDP1 (0.44) | HTTNPSR1L3MBTL1SMN1; SMN2SLC6A2 | |
| SCHEMBL15119669 | 0.74 | TUBB1 (0.38) | HTTNPSR1TUBB1L3MBTL1SMN1; SMN2 | |
| SCHEMBL11863667 | 0.72 | CNR2 (0.47) | GAATOP2ATOP2BL3MBTL1ALDH1A1 | |
| SCHEMBL21362626 | 0.71 | ALDH1A1 (0.31) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL21362021 | 0.70 | ACHE (0.38) | HTTGAATOP2ATOP2B | |
| SCHEMBL2577182 | 0.70 | ALDH1A1 (0.43) | HTTGAATOP2ATOP2BL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |