Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.86 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.72 |
| ▸ | NQO2 | P16083 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | GLA | P06280 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | PLG | P00747 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.50 |
| ▸ | PLAT | P00750 | 1/20 | 0.50 |
| ▸ | KLK1 | P06870 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29842519 | 1.00 | RELA (0.86) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL5050698 | 1.00 | RELA (0.86) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL5552166 | 1.00 | RELA (0.86) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL5050695 | 1.00 | RELA (0.86) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL5548830 | 0.95 | RELA (0.78) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL5548827 | 0.95 | RELA (0.78) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL5407847 | 0.93 | RELA (1.00) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL30507765 | 0.93 | RELA (1.00) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL5407848 | 0.93 | RELA (1.00) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL3984479 | 0.93 | RELA (1.00) | RELAPTGS1NQO2ALDH1A1GLA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1869720-A2 | ARYL-ETHYLENE SUBSTITUTED AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC SEMICONDUCTORS | E.I.Du pont de nemours and company (US) | 2007-12-26 | — | — | EP | disclosed |
| WO-2006113205-A2 | ARYL-ETHYLENE SUBSTITUTED AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC SEMICONDUCTORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2006-10-26 | — | — | WO | disclosed |