Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3349191 | 0.76 | CES1 (0.44) | CES1CYP1A2LMNASRCALDH1A1 | |
| SCHEMBL14645587 | 0.72 | CES1 (0.56) | CES1CYP1A2LMNASRCALDH1A1 | |
| SCHEMBL9861767 | 0.70 | CES1 (0.67) | CES1CYP1A2LMNASRCMLYCD | |
| SCHEMBL8674719 | 0.70 | CES1 (0.54) | CES1CYP1A2LMNASRCALDH1A1 | |
| SCHEMBL855642 | 0.70 | CES1 (0.67) | CES1CYP1A2LMNASRCMLYCD | |
| SCHEMBL11183801 | 0.69 | CES1 (0.58) | CES1CYP1A2LMNASRCALDH1A1 | |
| SCHEMBL132067 | 0.69 | CES1 (0.58) | CES1CYP1A2LMNASRCALDH1A1 | |
| SCHEMBL11864550 | 0.69 | CES1 (0.52) | CES1CYP1A2SRCALDH1A1CES2 | |
| SCHEMBL8445440 | 0.68 | CES1 (0.56) | CES1CYP1A2LMNASRCALDH1A1 | |
| SCHEMBL1874832 | 0.68 | CES1 (0.56) | CES1CYP1A2LMNASRCALDH1A1 |
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-116023202-A | Synthetic method of alpha-chlorarone derivative | 西南大学 | 2023-04-28 | — | — | CN | disclosed |