Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2927608 | 0.93 | — | — | |
| SCHEMBL14135569 | 0.72 | — | — | |
| SCHEMBL18473836 | 0.70 | — | — | |
| SCHEMBL553910 | 0.70 | — | — | |
| SCHEMBL10720609 | 0.70 | SMN1; SMN2 (0.36) | TSHRALDH1A1 | |
| Acrylic Acid Methyl Ester SCHEMBL27766605 | 0.69 | — | — | |
| SCHEMBL27555685 | 0.69 | — | — | |
| SCHEMBL30540966 | 0.68 | MMP2 (0.43) | TSHRALDH1A1KEAP1NFE2L2HCAR2 | |
| Acrylic Acid Methyl Ester SCHEMBL27930680 | 0.67 | HCAR2 (0.48) | TSHRALDH1A1KEAP1NFE2L2HCAR2 | |
| SCHEMBL2904353 | 0.67 | TSHR (0.31) | TSHR |
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-1531819-A1 | USE OF I kappa B KINASE INHIBITORS FOR THE TREATMENT OF PAIN | Aventis Pharma Deutschland GmbH (DE) | 2005-05-25 | — | — | EP | disclosed |
| EP-1530568-A1 | INDOLE OR BENZIMIDAZOLE DERIVATIVES FOR MODULATING I&kB KINASE | Aventis Pharma Deutschland GmbH (DE) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004022057-A1 | USE OF IκB KINASE INHIBITORS FOR THE TREATMENT OF PAIN | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2004-03-18 | — | — | WO | disclosed |
| WO-2004022553-A1 | INDOLE OR BENZIMIDAZOLE DERIVATIVES FOR MODULATING IκB KINASE | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2004-03-18 | — | — | WO | disclosed |