Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.70 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | UNG | P13051 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
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 SCHEMBL5458306 | 0.90 | ALDH1A1 (0.78) | ALDH1A1CYP2A6CYP2A13TSHRRELA | |
| Benzaldehyde SCHEMBL9075999 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP2A6CYP2A13TSHRRELA | |
| Benzaldehyde SCHEMBL27957434 | 0.85 | ALDH1A1 (0.70) | ALDH1A1CYP2A6CYP2A13TSHRRELA | |
| Benzaldehyde SCHEMBL27780794 | 0.84 | ALDH1A1 (0.88) | ALDH1A1CYP2A6CYP2A13TSHRTRPA1 | |
| Benzaldehyde SCHEMBL1330097 | 0.84 | — | — | |
| Benzaldehyde SCHEMBL9236967 | 0.84 | — | — | |
| Benzaldehyde SCHEMBL6061133 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TSHRTRPA1LMNA | |
| Benzaldehyde SCHEMBL10051945 | 0.84 | — | — | |
| Benzaldehyde SCHEMBL22400699 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TSHRTRPA1LMNA | |
| Benzaldehyde SCHEMBL573 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4316995-A | FROM P-HYDROXYBENZALDEHYDE MALONIC ACID | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-02-23 | — | — | US | claimed |
| CN-108912188-A | Coumarone thiazole and its preparation method and purposes containing glucosamine molecules | 淮海工学院 | 2018-11-30 | — | — | CN | disclosed |
| CN-108727577-A | A kind of novel poly (glycolide-lactide)-polyethylene glycols hydrogel and preparation method thereof | 信阳师范学院 | 2018-11-02 | — | — | CN | disclosed |