Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.39 |
| ▸ | CES2 | O00748 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL8217341 | 0.92 | CES1 (0.38) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL8220850 | 0.92 | CES2 (0.42) | CES1CES2ALDH1A1TSHRAKR1B1 | |
| SCHEMBL8209360 | 0.90 | CES2 (0.44) | CES1CES2ALDH1A1TSHRTHRB | |
| SCHEMBL8220801 | 0.90 | CES2 (0.39) | CES1CES2ALDH1A1TSHR | |
| SCHEMBL8218868 | 0.90 | CES2 (0.44) | CES1CES2ALDH1A1TSHRTHRB | |
| SCHEMBL23925227 | 0.90 | CES2 (0.39) | CES1CES2ALDH1A1TSHR | |
| SCHEMBL8218093 | 0.90 | CES2 (0.39) | CES1CES2ALDH1A1TSHR | |
| SCHEMBL6990350 | 0.90 | CES2 (0.44) | CES1CES2ALDH1A1TSHRTHRB | |
| SCHEMBL8220181 | 0.90 | CES2 (0.44) | CES1CES2ALDH1A1TSHRTHRB | |
| SCHEMBL8216992 | 0.90 | CES2 (0.44) | CES1CES2ALDH1A1TSHRTHRB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105566680-B | water-soluble antioxidant and preparation method thereof | 品青企业股份有限公司 | 2018-03-27 | — | — | CN | disclosed |
| US-6143198-A | SUITABLE FOR USE AS ELECTRO-OPTICAL DISPLAY MATERIALS; LIQUID CRYSTALLINE COMPOUND HAVING A LARGE ELASTIC CONSTANT RATIO, EXCELLENT COMPATIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, AND LOW TEMPERATURE CHEMICAL STABILITY | CHISSO CORPORATION (JP) | 2000-11-07 | — | — | US | disclosed |
| EP-0828700-A1 | LIQUID CRYSTALLINE COMPOUNDS HAVING EXO-METHYLENE SITE AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME | CHISSO CORPORATION (JP) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996037451-A1 | LIQUID CRYSTALLINE COMPOUNDS HAVING EXO-METHYLENE SITE AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME | CHISSO CORPORATION (JP) | 1996-11-28 | — | — | WO | disclosed |