Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL11527600 | 1.00 | AHR (0.52) | AHRCYP1A2ALDH1A1MAPTPTGS2 | |
| SCHEMBL9004477 | 0.88 | TRPA1 (0.48) | AHRALDH1A1PTGS2ALOX5PTGS1 | |
| SCHEMBL9004476 | 0.88 | TRPA1 (0.48) | AHRALDH1A1PTGS2ALOX5PTGS1 | |
| SCHEMBL1766 | 0.85 | — | — | |
| SCHEMBL11026325 | 0.83 | IDO1 (0.50) | ALDH1A1IDO1KDM4ETRPA1TSHR | |
| SCHEMBL4358863 | 0.83 | IDO1 (0.50) | ALDH1A1IDO1KDM4ETRPA1TSHR | |
| Benzene SCHEMBL28841146 | 0.80 | TSHR (0.60) | CYP1A2ALDH1A1MAPTIDO1MAPK1 | |
| SCHEMBL260347 | 0.80 | AHR (0.74) | AHRCYP1A2ALDH1A1MAPTPTGS2 | |
| SCHEMBL9679426 | 0.80 | AHR (0.74) | AHRCYP1A2ALDH1A1MAPTPTGS2 | |
| SCHEMBL20582895 | 0.80 | AHR (0.74) | AHRCYP1A2ALDH1A1MAPTPTGS2 |
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-114667312-A | Phosphorus-containing cellulose esters, method for the production thereof, use thereof and flame retardants | 弗劳恩霍夫应用研究促进协会 | 2022-06-24 | — | — | CN | disclosed |
| US-4153719-A | Aromatic diketones | STERLING DRUG INC. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4144398-A | Process for the preparation of acrolein and acrylic acid | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1979-03-13 | — | — | US | disclosed |