Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.93 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.93 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.68 |
| ▸ | ABAT | P80404 | 1/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | APP | P05067 | 2/20 | 0.59 |
| ▸ | TUBB1 | Q9H4B7 | 8/20 | 0.57 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.56 |
| ▸ | TUBB | P07437 | 2/20 | 0.56 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.56 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.56 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.56 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.56 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Isovanillin SCHEMBL1535672 | 0.96 | ALDH1A1 (1.00) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL29396443 | 0.96 | ALDH1A1 (1.00) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL70256 | 0.96 | ALDH1A1 (1.00) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL8703725 | 0.91 | ALDH1A1 (0.89) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Vanillin SCHEMBL10854393 | 0.89 | ALDH1A1 (0.86) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL15259649 | 0.89 | ALDH1A1 (0.86) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL28288896 | 0.88 | ALDH1A1 (0.83) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL28288925 | 0.88 | ALDH1A1 (0.83) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL3947338 | 0.86 | ALDH1A1 (0.81) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL7366001 | 0.86 | ALDH1A1 (0.81) | ALDH1A1AOX1TRIM24HPGDALDH5A1 |
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-105461602-A | Preparation method of chiral S/R-3-ethoxy-4-methoxy-alpha[(methylsulfonyl)methyl] benzyl alcohol | NAT UNIV DONG HWA | 2016-04-06 | — | — | CN | claimed |
| CN-105461602-A | Preparation method of chiral S/R-3-ethoxy-4-methoxy-alpha[(methylsulfonyl)methyl] benzyl alcohol | NAT UNIV DONG HWA | 2016-04-06 | — | — | CN | disclosed |