Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GAPDH | P04406 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Crotonaldehyde SCHEMBL254155 | 1.00 | TRPA1 (1.00) | TRPA1MAPK1ALDH1A1TSHRGAPDH | |
| Crotonaldehyde SCHEMBL38450 | 1.00 | — | — | |
| Crotonaldehyde SCHEMBL3482634 | 1.00 | — | — | |
| Crotonaldehyde SCHEMBL38449 | 1.00 | — | — | |
| Crotonaldehyde SCHEMBL11158005 | 0.96 | — | — | |
| Crotonaldehyde SCHEMBL3111545 | 0.96 | — | — | |
| Crotonaldehyde SCHEMBL3118858 | 0.96 | — | — | |
| Crotonaldehyde SCHEMBL11330065 | 0.96 | — | — | |
| Crotonaldehyde SCHEMBL676405 | 0.96 | — | — | |
| Crotonaldehyde SCHEMBL38651242 | 0.96 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108072706-A | Method for measuring content of acrolein in liquid phase mixture | 中国石油天然气股份有限公司 | 2018-05-25 | — | — | CN | disclosed |
| CN-106248845-B | Method for measuring content of unsaturated aldehyde in liquid phase mixture | 中国石油天然气股份有限公司 | 2018-05-04 | — | — | CN | disclosed |
| US-5886234-A | USING A SOLID ACID CATALYST TO REACT AN UNSATUREATIED ALDEHYDE E.G. CROTONALDEHYDE, AND A CYCLIC CONJUGATED DIENE, E.G CYCLOPENTADIENE, CYCLOHEXA-1,3-DIENE, IN AN EFFICIENT DIELS-ALDER REACTION | IDEMITSU KOSAN CO., LTD. (JP) | 1999-03-23 | — | — | US | disclosed |