Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.72 |
| ▸ | APAF1 | O14727 | 1/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 1/20 | 0.59 |
| ▸ | S100A4 | P26447 | 2/20 | 0.54 |
| ▸ | SOAT1 | P35610 | 10/20 | 0.52 |
| ▸ | MALT1 | Q9UDY8 | 3/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3315349 | 1.00 | ALDH1A1 (0.72) | ALDH1A1APAF1CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL21818906 | 0.98 | ALDH1A1 (0.70) | ALDH1A1APAF1CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL21814471 | 0.98 | ALDH1A1 (0.70) | ALDH1A1APAF1CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL21814432 | 0.98 | ALDH1A1 (0.70) | ALDH1A1APAF1CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL21814433 | 0.98 | ALDH1A1 (0.70) | ALDH1A1APAF1CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL21814503 | 0.98 | ALDH1A1 (0.70) | ALDH1A1APAF1CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL21814439 | 0.98 | ALDH1A1 (0.70) | ALDH1A1APAF1CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL21814542 | 0.98 | ALDH1A1 (0.70) | ALDH1A1APAF1CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL21814493 | 0.98 | ALDH1A1 (0.70) | ALDH1A1APAF1CYP1A2CYP2C8CYP2C9 | |
| SCHEMBL21814430 | 0.98 | ALDH1A1 (0.70) | ALDH1A1APAF1CYP1A2CYP2C8CYP2C9 |
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 2 patents. 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 | claimed |
| 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 |