Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 7/20 | 0.62 |
| ▸ | MAOA | P21397 | 4/20 | 0.62 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | KRAS | P01116 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8024786 | 0.85 | MAPK1 (0.62) | MAOBMAOACYP1B1MAPK1BCHE | |
| SCHEMBL28111088 | 0.84 | MAOB (0.45) | MAOBMAOACYP1B1MAPK1BCHE | |
| SCHEMBL2561307 | 0.81 | MAOB (0.62) | MAOBMAOACYP1B1MAPK1BCHE | |
| SCHEMBL2561308 | 0.81 | MAOB (0.62) | MAOBMAOACYP1B1MAPK1BCHE | |
| SCHEMBL6942834 | 0.81 | CYP1B1 (0.66) | MAOBMAOACYP1B1BCHECES1 | |
| SCHEMBL6942839 | 0.81 | CYP1B1 (0.66) | MAOBMAOACYP1B1BCHECES1 | |
| SCHEMBL13911500 | 0.81 | CYP1B1 (0.61) | MAOBMAOACYP1B1MAPK1BCHE | |
| Crotonic Acid SCHEMBL27807283 | 0.81 | ALDH1A1 (0.54) | MAOBCYP1B1MAPK1BCHECES1 | |
| SCHEMBL163297 | 0.81 | MAPT (0.68) | MAOBMAOACYP1B1MAPK1BCHE | |
| SCHEMBL28465869 | 0.81 | MAOB (0.57) | MAOBMAOACYP1B1MAPK1BCHE |
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-113292430-B | Alpha-carbonyl alkenyl ester compound and preparation method and application thereof | 江西师范大学 | 2022-11-29 | — | — | CN | disclosed |