Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.65 |
| ▸ | CES1 | P23141 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 8/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.55 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28848475 | 0.87 | CES2 (0.50) | CES2CES1MAPTALDH1A1MAPK1 | |
| SCHEMBL2156563 | 0.80 | CES2 (1.00) | CES2CES1MAPTRAB9ANPC1 | |
| Bromide SCHEMBL981452 | 0.78 | CES2 (0.96) | CES2CES1MAPTRAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL905770 | 0.78 | CES2 (0.96) | CES2CES1MAPTRAB9ANPC1 | |
| SCHEMBL14278535 | 0.77 | PKM (0.62) | CES2CES1MAPTALDH1A1MAPK1 | |
| SCHEMBL875642 | 0.77 | MGLL (0.60) | CES2CES1MAPTALDH1A1MAPK1 | |
| SCHEMBL11271050 | 0.76 | CES2 (0.71) | CES2CES1MAPTALDH1A1MAPK1 | |
| SCHEMBL7560411 | 0.75 | CES2 (0.81) | CES2CES1MAPTALDH1A1RAB9A | |
| SCHEMBL8652128 | 0.75 | CES2 (0.81) | CES2CES1MAPTALDH1A1RAB9A | |
| Benzoic Acid SCHEMBL29612332 | 0.75 | CES2 (0.89) | CES2CES1MAPTRAB9ANPC1 |
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 |