Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7514265 | 0.84 | TRPA1 (0.42) | TRPA1AKR1C3AKR1C2ALDH1A1NPC1 | |
| SCHEMBL9735383 | 0.83 | CYP1A2 (0.43) | TRPA1AKR1C3AKR1C2ALDH1A1NPC1 | |
| SCHEMBL9198523 | 0.82 | ADRA2A (0.38) | TRPA1AKR1C3AKR1C2ALDH1A1NPC1 | |
| SCHEMBL16959886 | 0.80 | ALDH1A1 (0.40) | TRPA1AKR1C3AKR1C2ALDH1A1NPC1 | |
| SCHEMBL15031150 | 0.78 | TRPA1 (0.41) | TRPA1AKR1C3AKR1C2ALDH1A1NPC1 | |
| SCHEMBL12250615 | 0.78 | TRPA1 (0.43) | TRPA1AKR1C3AKR1C2ALDH1A1NPC1 | |
| SCHEMBL28806591 | 0.78 | NPC1 (0.41) | TRPA1AKR1C3AKR1C2ALDH1A1NPC1 | |
| SCHEMBL8750519 | 0.77 | ALDH1A1 (0.38) | TRPA1AKR1C3AKR1C2ALDH1A1NPC1 | |
| SCHEMBL9632774 | 0.77 | MAPK1 (0.41) | TRPA1AKR1C3AKR1C2ALDH1A1NPC1 | |
| SCHEMBL16960900 | 0.76 | TRPA1 (0.38) | TRPA1AKR1C3AKR1C2ALDH1A1NPC1 |
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-103664474-B | The method of ethylbenzene and ethanol alkylation Reactive Synthesis p-Diethylbenzene | SINOPEC CORP. (CN) | 2016-01-13 | — | — | CN | disclosed |
| CN-103664474-A | Method for synthesizing p-diethylbenzene employing ethylbenzene-ethanol alkylation reaction | CHINA PETROLEUM & CHEMICAL | 2014-03-26 | — | — | CN | disclosed |