Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8772548 | 1.00 | CES1 (0.35) | CES1NOS3NOS2L3MBTL1HPGD | |
| SCHEMBL12797093 | 0.90 | L3MBTL1 (0.39) | CES1NOS3NOS2L3MBTL1HPGD | |
| SCHEMBL7614983 | 0.81 | HTR6 (0.34) | NOS3NOS2MAOAMAOB | |
| SCHEMBL6161470 | 0.79 | CES1 (0.39) | CES1L3MBTL1HPGDG6PC1SETD7 | |
| SCHEMBL1702769 | 0.77 | TYMS (0.38) | L3MBTL1TYMSMAOAMAOB | |
| SCHEMBL629499 | 0.76 | MPO (0.57) | MAPTSMN1; SMN2 | |
| SCHEMBL28323714 | 0.75 | CES1 (0.35) | CES1NOS3NOS2L3MBTL1HPGD | |
| SCHEMBL19096363 | 0.73 | CES1 (0.41) | CES1L3MBTL1HPGDG6PC1GPR84 | |
| SCHEMBL8500693 | 0.72 | MAPT (0.44) | CES1L3MBTL1HPGDMEN1PLA2G1B | |
| SCHEMBL5606605 | 0.71 | GPR84 (0.45) | CES1L3MBTL1HPGDG6PC1GPR84 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114213254-B | Beta-nitroketone and preparation method and application method thereof | 北京师范大学 | 2023-04-25 | — | — | CN | disclosed |
| CN-114213254-A | Beta-nitroketone, and preparation method and application method thereof | 北京师范大学 | 2022-03-22 | — | — | CN | disclosed |