Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | NQO2 | P16083 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.46 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.46 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6955572 | 1.00 | RELA (0.59) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL5552162 | 0.80 | RELA (0.86) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL5050695 | 0.80 | RELA (0.86) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL5050698 | 0.80 | RELA (0.86) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL5552166 | 0.80 | RELA (0.86) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL29842519 | 0.80 | RELA (0.86) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL2136867 | 0.80 | RELA (0.59) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL5621330 | 0.80 | RELA (0.59) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL3321000 | 0.80 | RELA (0.59) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL3912191 | 0.80 | RELA (0.59) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0974584-B1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-15 | — | — | EP | disclosed |
| US-6420375-B1 | ANTITUMOR | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-0974584-A1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-01-26 | — | — | EP | disclosed |
| US-5068325-A | Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics | KARL THOMAE GMBH (DE) | 1991-11-26 | — | — | US | disclosed |