Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.93 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.93 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | UNG | P13051 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
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 SCHEMBL9132424 | 1.00 | — | — | |
| Benzaldehyde SCHEMBL27511497 | 0.97 | ALDH1A1 (0.88) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL28228478 | 0.97 | ALDH1A1 (0.88) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL6061133 | 0.97 | ALDH1A1 (1.00) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL22400699 | 0.97 | ALDH1A1 (1.00) | ALDH1A1CYP2A6LMNATRPA1ALOX5 | |
| Benzaldehyde SCHEMBL10051945 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL9236967 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL1330097 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL573 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL896024 | 0.97 | ALDH1A1 (1.00) | ALDH1A1CYP2A6LMNATRPA1ALOX5 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109776419-A | Sulfosalt and its preparation method and application containing pyrazoline group | 同济大学 | 2019-05-21 | — | — | CN | claimed |
| CN-114656418-B | (E) -benzo five-membered ring-styryl sulfonium salt derivative and preparation and application thereof | 同济大学 | 2024-01-26 | — | — | CN | disclosed |
| CN-114656418-A | (E) -benzo five-membered ring-styryl sulfonium salt derivatives, and preparation and application thereof | 同济大学 | 2022-06-24 | — | — | CN | disclosed |
| CN-109776419-A | Sulfosalt and its preparation method and application containing pyrazoline group | 同济大学 | 2019-05-21 | — | — | CN | disclosed |
| CN-107522643-A | A kind of novel preparation method using talan as the sulfosalt derivative of conjugated system | 同济大学 | 2017-12-29 | — | — | CN | disclosed |
| US-5266705-A | Reacting 2-halogenobenzaldehyde with polysulfide, reacting with monohalogenoacetone | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 1993-11-30 | — | — | US | disclosed |