Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.74 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.74 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | UNG | P13051 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.40 |
| ▸ | ABAT | P80404 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL28587170 | 0.90 | ALDH1A1 (0.67) | ALDH1A1CYP2A6TSHRLMNATRPA1 | |
| Benzaldehyde SCHEMBL5327392 | 0.87 | ALDH1A1 (0.70) | ALDH1A1CYP2A6TSHRLMNATRPA1 | |
| Benzaldehyde SCHEMBL27780794 | 0.86 | ALDH1A1 (0.88) | ALDH1A1CYP2A6TSHRLMNATRPA1 | |
| Benzaldehyde SCHEMBL9236967 | 0.86 | — | — | |
| Benzaldehyde SCHEMBL1330097 | 0.86 | — | — | |
| Benzaldehyde SCHEMBL573 | 0.86 | — | — | |
| Benzaldehyde SCHEMBL6061133 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TSHRLMNATRPA1 | |
| Benzaldehyde SCHEMBL10051945 | 0.86 | — | — | |
| Benzaldehyde SCHEMBL22400699 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TSHRLMNATRPA1 | |
| Benzaldehyde SCHEMBL896024 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TSHRLMNATRPA1 |
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-2009059944-A1 | ELECTROCHEMICAL METHOD FOR PRODUCING BENZALDEHYDE DIMETHYL ACETYLENE | BASF SE (DE) | 2009-05-14 | — | — | WO | disclosed |