Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.78 |
| ▸ | TSHR | P16473 | 1/20 | 0.78 |
| ▸ | FDPS | P14324 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.59 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.59 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.59 |
| ▸ | ABAT | P80404 | 1/20 | 0.59 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.59 |
| ▸ | TTR | P02766 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| 3,4-Dimethoxybenzaldehyde SCHEMBL5308959 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL25202 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL1330962 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL29364994 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL28205798 | 0.86 | ALDH1A1 (0.96) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL29624454 | 0.86 | ALDH1A1 (0.96) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL28147472 | 0.84 | ALDH1A1 (0.92) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| SCHEMBL7366005 | 0.84 | ALDH1A1 (0.84) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| SCHEMBL10424315 | 0.81 | ALDH1A1 (0.78) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL29268876 | 0.81 | ALDH1A1 (0.85) | ALDH1A1TSHRFDPSHPGDTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8410116-B2 | Bis(styryl)pyrimidine or bis(styryl)benzene compounds, pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition for prevention or treatment of diseases featuring amyloids comprising the same as an active ingredient | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2013-04-02 | — | — | US | disclosed |