Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9425926 | 0.79 | CYP2C19 (0.62) | CYP2C19ALDH1A1TRPA1NPC1TSHR | |
| SCHEMBL3258195 | 0.79 | CYP2C19 (0.62) | CYP2C19ALDH1A1TRPA1NPC1TSHR | |
| SCHEMBL9634579 | 0.74 | CYP2C19 (0.49) | CYP2C19ALDH1A1LMNATRPA1ALOX5 | |
| SCHEMBL6286942 | 0.73 | CYP2C19 (0.55) | CYP2C19ALDH1A1LMNATRPA1ALOX5 | |
| SCHEMBL28939716 | 0.73 | CYP2C19 (0.55) | CYP2C19ALDH1A1LMNATRPA1ALOX5 | |
| SCHEMBL26917 | 0.73 | CYP2C19 (0.55) | CYP2C19ALDH1A1LMNATRPA1ALOX5 | |
| SCHEMBL3259240 | 0.73 | CYP2C19 (0.55) | CYP2C19ALDH1A1LMNATRPA1ALOX5 | |
| Benzene SCHEMBL27345987 | 0.73 | CYP2C19 (0.55) | CYP2C19ALDH1A1LMNATRPA1ALOX5 | |
| SCHEMBL5664878 | 0.72 | CYP2C19 (0.53) | CYP2C19ALDH1A1LMNATRPA1ALOX5 | |
| Water SCHEMBL15415928 | 0.72 | CYP2C19 (0.53) | CYP2C19ALDH1A1LMNATRPA1ALOX5 |
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-109071422-A | The regulator that linear and false ring extension for controlling vinyl monomer polymerize | 迪斯普泰科有限公司 | 2018-12-21 | — | — | CN | disclosed |
| EP-3105280-A1 | SULFUR COMPOSITES AND POLYMERIC MATERIALS FROM ELEMENTAL SULFUR | The Arizona Board of Regents for and on behalf of Arizona State University (US) | 2016-12-21 | — | — | EP | disclosed |
| WO-2015123552-A1 | SULFUR COMPOSITES AND POLYMERIC MATERIALS FROM ELEMENTAL SULFUR | THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2015-08-20 | — | — | WO | disclosed |