Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL14990798 | 0.85 | CYP2C19 (0.38) | LMNAALDH1A1CYP2C19TSHRMEN1 | |
| Acrylic Acid SCHEMBL21809423 | 0.82 | OPRM1 (0.37) | LMNATSHRMEN1KMT2A | |
| SCHEMBL6062608 | 0.80 | CYP2C19 (0.34) | ALDH1A1CYP2C19TSHRUSP2 | |
| SCHEMBL43020 | 0.80 | — | — | |
| SCHEMBL355528 | 0.80 | CYP2C19 (0.34) | ALDH1A1CYP2C19TSHRUSP2 | |
| SCHEMBL955188 | 0.80 | CYP2C19 (0.34) | ALDH1A1CYP2C19TSHRUSP2 | |
| Hydrochloric Acid SCHEMBL5718393 | 0.78 | CYP2C19 (0.33) | ALDH1A1CYP2C19TSHRUSP2 | |
| Ammonia Solution, Strong SCHEMBL5830917 | 0.78 | CYP2C19 (0.33) | ALDH1A1CYP2C19TSHRUSP2 | |
| Methacrylic Acid SCHEMBL28216632 | 0.78 | CYP2C19 (0.31) | CYP2C19 | |
| Vinyl Ether SCHEMBL27877251 | 0.78 | CYP2C19 (0.31) | CYP2C19 |
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-109232243-A | The method that one kettle way prepares acrylic acid straight chained alkyl cyclohexyl | 上海博栋化学科技有限公司 | 2019-01-18 | — | — | CN | disclosed |