Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15198 | 0.91 | ALDH1A1 (0.58) | ALDH1A1CYP1A2LMNATYRGRIN2D | |
| Hydrogen Sulfide SCHEMBL29029008 | 0.89 | ALDH1A1 (0.55) | ALDH1A1CYP1A2LMNATYRGRIN2D | |
| Butadiene SCHEMBL4270330 | 0.86 | ALDH1A1 (0.52) | ALDH1A1CYP1A2LMNATYRGRIN2D | |
| 4-Vinylphenol SCHEMBL20515235 | 0.85 | LMNA (0.67) | ALDH1A1CYP1A2LMNATYRGRIN2D | |
| Methoxymethane SCHEMBL28668345 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CYP1A2LMNATYRGRIN2D | |
| SCHEMBL6876844 | 0.84 | CYP1A2 (0.53) | ALDH1A1CYP1A2LMNATYRGRIN2D | |
| SCHEMBL6884409 | 0.84 | CYP1A2 (0.53) | ALDH1A1CYP1A2LMNATYRGRIN2D | |
| SCHEMBL4424277 | 0.83 | TSHR (0.65) | ALDH1A1CYP1A2LMNATYRGRIN2D | |
| Benzene SCHEMBL8586542 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP1A2LMNATYRGRIN2D | |
| Styrene SCHEMBL7512832 | 0.83 | ALDH1A1 (0.61) | ALDH1A1CYP1A2LMNATYRGRIN2D |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021036515-A1 | METHOD FOR SYNTHESIZING ALKENYL BORATE COMPOUND | 中国科学院兰州化学物理研究所 | 2021-03-04 | — | — | WO | disclosed |