Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 5/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 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 | |
|---|---|---|---|---|
| SCHEMBL4589447 | 0.83 | GRIN2B (0.42) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL5548041 | 0.67 | ALDH1A1 (0.43) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL8251 | 0.67 | NOS2 (0.43) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL7462793 | 0.67 | TRPA1 (0.39) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL6598540 | 0.66 | TSHR (0.50) | TRPA1ALDH1A1CYP3A4MIFHPGD | |
| SCHEMBL4762887 | 0.66 | TRPA1 (0.41) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL28563732 | 0.65 | CES1 (0.42) | ALDH1A1HPGDCES1SMN1; SMN2IDO1 | |
| SCHEMBL1653 | 0.64 | ALDH1A1 (0.55) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL6003248 | 0.64 | IDO1 (0.40) | ALDH1A1CYP3A4HPGDCES1CALM1 | |
| SCHEMBL1852892 | 0.64 | ALDH1A1 (0.40) | GRIN2BTRPA1ALDH1A1CYP3A4MIF |
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-1678185-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042542-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-05-12 | — | — | WO | disclosed |