Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15898449 | 1.00 | ESR2 (0.44) | ESR2NR1H2ADORA1USP2SMN1; SMN2 | |
| SCHEMBL6573258 | 0.84 | ESR2 (0.47) | ESR2NR1H2ADORA1USP2SMN1; SMN2 | |
| SCHEMBL6573257 | 0.84 | ESR2 (0.47) | ESR2NR1H2ADORA1USP2SMN1; SMN2 | |
| SCHEMBL25275525 | 0.84 | ESR2 (0.47) | ESR2NR1H2ADORA1USP2SMN1; SMN2 | |
| SCHEMBL15459811 | 0.84 | ESR2 (0.47) | ESR2NR1H2ADORA1USP2SMN1; SMN2 | |
| SCHEMBL7989246 | 0.82 | NR1H2 (0.40) | ESR2NR1H2ADORA1USP2SMN1; SMN2 | |
| SCHEMBL15459812 | 0.82 | ESR2 (0.45) | ESR2NR1H2ADORA1USP2SMN1; SMN2 | |
| SCHEMBL803643 | 0.81 | ESR2 (0.44) | ESR2NR1H2ADORA1USP2SMN1; SMN2 | |
| SCHEMBL785941 | 0.81 | ESR2 (0.44) | ESR2NR1H2ADORA1USP2SMN1; SMN2 | |
| SCHEMBL785942 | 0.81 | ESR2 (0.44) | ESR2NR1H2ADORA1USP2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107207532-B | Nitroimidazole derivatives against tuberculosis | 南京明德新药研发股份有限公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-107207532-A | Nitroimidazole derivatives against tuberculosis | 南京明德新药研发股份有限公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-106946909-A | The nitro imidazole derivatives for the treatment of pulmonery tuberculosis disease | 南京明德新药研发股份有限公司 | 2017-07-14 | — | — | CN | disclosed |