Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | RAF1 | P04049 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1E | P28566 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22022953 | 0.74 | NISCH (0.47) | ALDH1A1MAPK14PTGS2MAPK13MAPK9 | |
| SCHEMBL15037628 | 0.72 | PARP1 (0.39) | ALDH1A1POLBMAPTHPGDHTR2A | |
| SCHEMBL30117332 | 0.67 | HPGDS (0.50) | PTGS2 | |
| SCHEMBL28937976 | 0.67 | HPGDS (0.50) | PTGS2 | |
| SCHEMBL1239862 | 0.67 | HTR2C (0.44) | HTR7HTR1AHTR2AHTR2CHTR2B | |
| SCHEMBL8960083 | 0.67 | ADRA2A (0.61) | HTR2AHTR2CHTR2BHTR6 | |
| Hydrochloric Acid SCHEMBL2828350 | 0.65 | HTR2C (0.46) | HTR7HTR1AHTR2AHTR2CHTR2B | |
| Dihydronicotyrine SCHEMBL1207625 | 0.65 | CYP2A6 (0.52) | ALDH1A1MAPTHPGD | |
| SCHEMBL15384304 | 0.65 | PTGS1 (0.34) | POLBMAPK14PTGS1PTGS2HTR7 | |
| SCHEMBL11351734 | 0.63 | LTA4H (0.47) | ALDH1A1MAPTHPGD |
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 |