Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | GAA | P10253 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | BLM | P54132 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | GMNN | O75496 | 1/20 | 0.52 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL22122700 | 0.91 | ALDH1A1 (0.49) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL11463070 | 0.89 | ALDH1A1 (0.47) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL14218521 | 0.87 | GAA (0.43) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL12036688 | 0.87 | GAA (0.46) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL284696 | 0.85 | ALDH1A1 (0.63) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL11176642 | 0.82 | ALDH1A1 (0.47) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL12769442 | 0.81 | GAA (0.44) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL283499 | 0.81 | ALDH1A1 (0.59) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL8751536 | 0.81 | ALDH1A1 (0.59) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL21925003 | 0.80 | ALDH1A1 (0.54) | ALDH1A1GAATSHRLMNAKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110734459-B | Bifunctional compound, synthesis method thereof and application of bifunctional compound as antioxidant | 中国石油天然气股份有限公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-114181054-A | Synthesis method of 3, 5-di-tert-butyl-4-hydroxybenzyl methyl ether | 西北化工研究院有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-110734580-A | compounds containing hindered phenol and pentaerythritol structure, synthesis method thereof and application thereof as antioxidant | 中国石油天然气股份有限公司 | 2020-01-31 | — | — | CN | disclosed |
| CN-110734459-A | bifunctional compounds, synthesis method thereof and application thereof as antioxidant | 中国石油天然气股份有限公司 | 2020-01-31 | — | — | CN | disclosed |
| US-4173541-A | ANITOXIDANTS | CINCINNATI MILACRON CHEMICALS INC. (US) | 1979-11-06 | — | — | US | disclosed |