Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | GRIK1 | P39086 | 6/20 | 0.44 |
| ▸ | GRIK2 | Q13002 | 6/20 | 0.44 |
| ▸ | CPA1 | P15085 | 3/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | UNG | P13051 | 1/20 | 0.38 |
| ▸ | CPA3 | P15088 | 2/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.37 |
| ▸ | CPB1 | P15086 | 1/20 | 0.37 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13258634 | 0.83 | GRIK1 (0.63) | CYP2C19GRIK1GRIK2 | |
| SCHEMBL891727 | 0.78 | GRIK1 (0.64) | CYP2C19GRIK1GRIK2CPA1TBXAS1 | |
| Benzaldehyde SCHEMBL4311219 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP2A6GRIK1GRIK2CYP1A2 | |
| Benzaldehyde SCHEMBL10397396 | 0.77 | CYP2C19 (0.50) | CYP2C19ALDH1A1CYP2A6TSHR | |
| Benzaldehyde SCHEMBL28589859 | 0.77 | ALDH1A1 (0.64) | CYP2C19ALDH1A1CYP2A6KMT2ATSHR | |
| SCHEMBL629350 | 0.76 | CYP1A2 (0.68) | CYP2C19CPA1CYP1A2CPA3FOLH1 | |
| SCHEMBL252900 | 0.76 | CYP1A2 (0.68) | CYP2C19CPA1CYP1A2CPA3FOLH1 | |
| SCHEMBL9007628 | 0.76 | CYP1A2 (0.68) | CYP2C19CPA1CYP1A2CPA3FOLH1 | |
| SCHEMBL1663075 | 0.76 | CYP2C19 (0.49) | CYP2C19ALDH1A1GRIK1GRIK2CPA1 | |
| SCHEMBL6402173 | 0.74 | GRIK1 (0.55) | CYP2C19GRIK1GRIK2CPA1TBXAS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0237769-B1 | BENZALDEHYDE-DIALKYL ACETALS | BAYER AG (DE) | 1990-04-04 | — | — | EP | disclosed |
| EP-0237769-A2 | Benzaldehyde-dialkyl acetals | BAYER AG (DE) | 1987-09-23 | — | — | EP | disclosed |