Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 6/20 | 0.50 |
| ▸ | CES1 | P23141 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28848487 | 0.87 | CES2 (0.65) | CES2CES1ALDH1A1KMT2APOLB | |
| SCHEMBL12328543 | 0.81 | MAPT (0.55) | CES2CES1ALDH1A1POLBSMN1; SMN2 | |
| (Diphenylmethylidene)Amino Benzoate SCHEMBL92010 | 0.79 | ALDH1A1 (0.66) | ALDH1A1KMT2APOLBSMN1; SMN2NPSR1 | |
| SCHEMBL213829 | 0.78 | ALDH1A1 (0.51) | CES2CES1ALDH1A1KMT2APOLB | |
| SCHEMBL11333722 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KMT2APOLBSMN1; SMN2NPSR1 | |
| SCHEMBL22268377 | 0.74 | ALDH1A1 (0.50) | ALDH1A1KMT2APOLBSMN1; SMN2NPSR1 | |
| SCHEMBL9750434 | 0.73 | CES2 (0.65) | CES2CES1ALDH1A1POLBMAPT | |
| SCHEMBL24961282 | 0.73 | POLB (0.49) | ALDH1A1KMT2APOLBSMN1; SMN2NPSR1 | |
| SCHEMBL20867952 | 0.73 | CES1 (0.48) | CES1ALDH1A1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL22125723 | 0.73 | ALDH1A1 (0.44) | CES1ALDH1A1KMT2APOLBSMN1; SMN2 |
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-114957037-A | Method for synthesizing beta-aminocarbonyl compound by photo-induced oxalyl oxime ester homolytic decarboxylation and activated olefin addition | 中山大学 | 2022-08-30 | — | — | CN | disclosed |