Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL141101 | 0.89 | ALDH1A1 (0.58) | ALDH1A1TDP1TRPA1TSHRHDAC8 | |
| SCHEMBL5888561 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MAPTTDP1TRPA1TSHR | |
| 4-Vinylphenol SCHEMBL59328 | 0.82 | — | — | |
| SCHEMBL78718 | 0.82 | ESR1 (0.56) | ALDH1A1ESR1ESR2MAPTTSHR | |
| 4-Vinylphenol SCHEMBL170622 | 0.82 | ALDH1A1 (0.69) | ALDH1A1ESR1ESR2ALDH5A1ABAT | |
| 4-Vinylphenol SCHEMBL28554238 | 0.80 | ALDH1A1 (0.58) | ALDH1A1ESR1ESR2ALDH5A1ABAT | |
| 4-Vinylphenol SCHEMBL17288723 | 0.79 | ALDH1A1 (0.65) | ALDH1A1ESR1ESR2ALDH5A1ABAT | |
| 4-Vinylphenol SCHEMBL20584761 | 0.79 | ALDH1A1 (0.65) | ALDH1A1ESR1ESR2ALDH5A1ABAT | |
| 4-Vinylphenol SCHEMBL11445443 | 0.79 | ALDH1A1 (0.65) | ALDH1A1ESR1ESR2ALDH5A1ABAT | |
| 4-Vinylphenol SCHEMBL3839728 | 0.79 | ALDH1A1 (0.65) | ALDH1A1ESR1ESR2ALDH5A1ABAT |
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-20180282466-A1 | POLYMER MATERIAL FOR SELF-ASSEMBLY, SELF-ASSEMBLED FILM, METHOD OF PRODUCING SELF-ASSEMBLED FILM, AND PROJECTION AND DEPRESSION PATTERN | HORIBA STEC, CO., LTD. (JP) | 2018-10-04 | — | — | US | disclosed |