Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 2/20 | 0.35 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29663912 | 0.81 | CES1 (0.42) | CES1ALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL186912 | 0.81 | CES1 (0.42) | CES1ALDH1A1HPGDTSHRMAPK1 | |
| Anthracene SCHEMBL28247073 | 0.80 | CES1 (0.41) | CES1ALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL20657064 | 0.80 | CES1 (0.41) | CES1ALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL2389040 | 0.80 | CES1 (0.41) | CES1ALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL9937173 | 0.77 | PABPC1 (0.43) | CES1ALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL9936961 | 0.75 | PABPC1 (0.39) | CES1ALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL738593 | 0.73 | ALDH1A1 (0.44) | ALDH1A1HPGDTSHRHIF1AHSD17B10 | |
| SCHEMBL9937175 | 0.72 | PIM1 (0.36) | CES1ALDH1A1HPGDTSHRMAPK1 | |
| Benzene SCHEMBL28903867 | 0.71 | ALDH1A1 (0.45) | ALDH1A1HPGDTSHRHIF1AHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2675800-A1 | FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF | Institute Of Chemistry, Chinese Academy Of Sciences (CN) | 2013-12-25 | — | — | EP | disclosed |
| US-20130331583-A1 | FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF | Institute of Chemistry, Chinesse Academy of Sciences | 2013-12-12 | — | — | US | disclosed |
| WO-2012079545-A1 | FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF | CHINESE ACADEMY OF SCIENCE INSTITUTE OF CHEMISTRY (CN) | 2012-06-21 | — | — | WO | disclosed |