Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | MALT1 | Q9UDY8 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL21814495 | 1.00 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19CYP2C8CYP2B6 | |
| SCHEMBL30587657 | 0.82 | MALT1 (0.73) | CYP1A2CYP2C9CYP2C19CYP2C8CYP2B6 | |
| SCHEMBL15690493 | 0.82 | MALT1 (0.73) | CYP1A2CYP2C9CYP2C19CYP2C8CYP2B6 | |
| SCHEMBL21668436 | 0.81 | MAOA (0.64) | CYP1A2CYP2C9CYP2C19CYP2C8CYP2B6 | |
| SCHEMBL9751902 | 0.80 | RAB9A (0.51) | CYP1A2CYP2C9CYP2C19CYP2C8CYP2B6 | |
| SCHEMBL21814504 | 0.78 | ALDH1A1 (0.48) | CYP1A2CYP2C9CYP2C19CYP2C8CYP2B6 | |
| SCHEMBL30587679 | 0.77 | MAOA (0.68) | CYP1A2CYP2C9CYP2C19CYP2C8CYP2B6 | |
| SCHEMBL15690333 | 0.77 | MAOA (0.68) | CYP1A2CYP2C9CYP2C19CYP2C8CYP2B6 | |
| SCHEMBL21668441 | 0.75 | MAOA (0.60) | CYP1A2CYP2C9CYP2C19CYP2C8CYP2B6 | |
| SCHEMBL15690311 | 0.75 | CYP1A2 (0.71) | CYP1A2CYP2C9CYP2C19CYP2C8CYP2B6 |
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-112739725-B | Amino quinone anti-polymerization agent and method of use thereof | 埃科莱布美国股份有限公司 | 2023-09-26 | — | — | CN | disclosed |