Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.69 |
| ▸ | HPGD | P15428 | 2/20 | 0.69 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.69 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.69 |
| ▸ | ABAT | P80404 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.69 |
| ▸ | CA12 | O43570 | 2/20 | 0.62 |
| ▸ | CA4 | P22748 | 2/20 | 0.62 |
| ▸ | CA6 | P23280 | 2/20 | 0.62 |
| ▸ | CA5A | P35218 | 2/20 | 0.62 |
| ▸ | CA7 | P43166 | 2/20 | 0.62 |
| ▸ | CA9 | Q16790 | 2/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.62 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.62 |
| ▸ | SHBG | P04278 | 1/20 | 0.55 |
| ▸ | KDM1A | O60341 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | TTR | P02766 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Vanillin SCHEMBL4259101 | 0.92 | ALDH1A1 (0.69) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| Vanillin SCHEMBL5529254 | 0.87 | ALDH1A1 (0.71) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| Vanillin SCHEMBL28601372 | 0.87 | ALDH1A1 (0.81) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| Vanillin SCHEMBL19838304 | 0.87 | ALDH1A1 (0.81) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| Vanillin SCHEMBL27845333 | 0.87 | ALDH1A1 (0.93) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| Vanillin SCHEMBL8320727 | 0.85 | ALDH1A1 (0.83) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| Vanillin SCHEMBL29175199 | 0.85 | ALDH1A1 (0.96) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| Vanillin SCHEMBL28865251 | 0.85 | ALDH1A1 (0.68) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| Biphenyl SCHEMBL17780117 | 0.84 | ALDH1A1 (0.81) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| Vanillin SCHEMBL29000270 | 0.84 | ALDH1A1 (0.86) | ALDH1A1HPGDTRIM24ALDH5A1ABAT |
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-109665948-A | A method of ortho vanillin is prepared by raw material of catechol | 沈阳化工大学 | 2019-04-23 | — | — | CN | disclosed |