Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.37 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.37 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6958610 | 1.00 | RELA (0.44) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL9519041 | 0.82 | RAB9A (0.39) | SMN1; SMN2KDM4EL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL28260827 | 0.72 | RELA (0.55) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL2355562 | 0.72 | RELA (0.55) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL2103758 | 0.71 | BACE1 (0.47) | CYP1A2CYP2D6 | |
| SCHEMBL7974933 | 0.71 | TDP1 (0.51) | ALDH1A1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL7362771 | 0.70 | BACE1 (0.48) | CYP1A2CYP2D6 | |
| SCHEMBL224386 | 0.69 | ANPEP (0.39) | MAPTL3MBTL1 | |
| SCHEMBL5050698 | 0.68 | RELA (0.86) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL5552162 | 0.68 | RELA (0.86) | 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 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 |