Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6960049 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EL3MBTL1RELAPTGS1 | |
| SCHEMBL6960044 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EL3MBTL1RELAPTGS1 | |
| SCHEMBL29639038 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4EL3MBTL1RELAPTGS1 | |
| SCHEMBL10049312 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4EL3MBTL1RELAPTGS1 | |
| SCHEMBL28645567 | 0.80 | SMN1; SMN2 (0.44) | ALDH1A1KDM4EL3MBTL1RELAPTGS1 | |
| SCHEMBL28646816 | 0.80 | SMN1; SMN2 (0.44) | ALDH1A1KDM4EL3MBTL1RELAPTGS1 | |
| SCHEMBL28645568 | 0.80 | SMN1; SMN2 (0.44) | ALDH1A1KDM4EL3MBTL1RELAPTGS1 | |
| Benzene SCHEMBL29278546 | 0.79 | RELA (0.55) | ALDH1A1KDM4EL3MBTL1RELAPTGS1 | |
| SCHEMBL6963143 | 0.78 | ALDH1A1 (0.47) | ALDH1A1KDM4EL3MBTL1RELAPTGS1 | |
| SCHEMBL6963137 | 0.78 | ALDH1A1 (0.47) | ALDH1A1KDM4EL3MBTL1RELAPTGS1 |
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-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 |