Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | SLC13A5 | Q86YT5 | 2/20 | 0.34 |
| ▸ | SLC13A2 | Q13183 | 1/20 | 0.34 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | CCR9 | P51686 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | SSTR4 | P31391 | 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 | |
|---|---|---|---|---|
| SCHEMBL30772165 | 0.86 | SCN9A (0.35) | CYP17A1SCN9ASCN10APIM1CRHR1 | |
| SCHEMBL24804886 | 0.86 | SCN9A (0.35) | CYP17A1SCN9ASCN10APIM1CRHR1 | |
| Hydrochloric Acid SCHEMBL29180786 | 0.81 | CYP17A1 (0.33) | CYP17A1SCN9ASCN10APIM1CRHR1 | |
| SCHEMBL30148626 | 0.81 | RAF1 (0.38) | SLC13A5SLC13A2SLC13A3 | |
| SCHEMBL30772189 | 0.80 | KAT2B (0.37) | CYP17A1SCN9ASCN10AKAT2B | |
| SCHEMBL24802438 | 0.79 | SCN9A (0.36) | CYP17A1SCN9ASCN10APIM1HRH3 | |
| SCHEMBL29180832 | 0.78 | CYP11B2 (0.35) | CYP17A1SCN9ASCN10APIM1CRHR1 | |
| SCHEMBL46303 | 0.77 | HSD17B10 (0.46) | CYP11B2 | |
| SCHEMBL30148717 | 0.76 | ALDH1A1 (0.34) | PIK3CDHRH3 | |
| SCHEMBL29180830 | 0.74 | SCN9A (0.33) | SCN9ASCN10ACRHR1PARP1 |
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-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |