Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 3/20 | 0.51 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.51 |
| ▸ | SNCA | P37840 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | PLG | P00747 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | PLAT | P00750 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28410291 | 1.00 | TRPA1 (0.53) | TRPA1RELANFE2L2SNCAKDM4E | |
| SCHEMBL28410290 | 1.00 | TRPA1 (0.53) | TRPA1RELANFE2L2SNCAKDM4E | |
| SCHEMBL28408256 | 0.85 | MEN1 (0.48) | TRPA1NFE2L2LMNAPLAUPLAT | |
| SCHEMBL28408254 | 0.85 | MEN1 (0.48) | TRPA1NFE2L2LMNAPLAUPLAT | |
| SCHEMBL28408255 | 0.85 | MEN1 (0.48) | TRPA1NFE2L2LMNAPLAUPLAT | |
| SCHEMBL28410294 | 0.82 | NFE2L2 (0.50) | TRPA1NFE2L2SNCALMNAPTGS1 | |
| SCHEMBL28410295 | 0.82 | NFE2L2 (0.50) | TRPA1NFE2L2SNCALMNAPTGS1 | |
| SCHEMBL28296333 | 0.82 | NFE2L2 (0.50) | TRPA1NFE2L2SNCALMNAPTGS1 | |
| SCHEMBL5335032 | 0.79 | TRPA1 (0.61) | TRPA1RELANFE2L2SNCAKDM4E | |
| SCHEMBL5335033 | 0.79 | TRPA1 (0.61) | TRPA1RELANFE2L2SNCAKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109796372-B | Method for preparing polysubstituted alkenyl amidine | 中国科学院化学研究所 | 2020-03-10 | — | — | CN | disclosed |
| CN-109796372-A | A method of preparing polysubstituted alkenyl amidine | 中国科学院化学研究所 | 2019-05-24 | — | — | CN | disclosed |