Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | JAK3 | P52333 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL24802440 | 0.79 | CYP17A1 (0.37) | SCN9ASCN10ACYP11B2PIM1PDE10A | |
| SCHEMBL26449823 | 0.70 | GRM5 (0.42) | PDE10ANOS3NOS2 | |
| SCHEMBL23416642 | 0.66 | GAA (0.35) | NOS3NOS1NOS2 | |
| SCHEMBL22542026 | 0.66 | SCN9A (0.43) | SCN9ASCN10APARP1NTRK1 | |
| SCHEMBL24804886 | 0.65 | SCN9A (0.35) | SCN9ASCN10ACYP11B2PIM1PARP1 | |
| SCHEMBL30772165 | 0.65 | SCN9A (0.35) | SCN9ASCN10ACYP11B2PIM1PARP1 | |
| SCHEMBL11493940 | 0.65 | HSD17B10 (0.41) | SCN9ASCN10APARP1 | |
| SCHEMBL12362742 | 0.65 | CA12 (0.38) | SCN9ASCN10APARP1KDR | |
| SCHEMBL30148626 | 0.65 | RAF1 (0.38) | — | |
| SCHEMBL27774656 | 0.64 | PIM1 (0.39) | SCN9ASCN10APIM1 |
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 |