Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.74 |
| ▸ | THRB | P10828 | 1/20 | 0.74 |
| ▸ | TSHR | P16473 | 1/20 | 0.74 |
| ▸ | GLA | P06280 | 1/20 | 0.66 |
| ▸ | CA1 | P00915 | 5/20 | 0.62 |
| ▸ | CA2 | P00918 | 5/20 | 0.62 |
| ▸ | CA9 | Q16790 | 5/20 | 0.62 |
| ▸ | CA12 | O43570 | 4/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | EGFR | P00533 | 3/20 | 0.54 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | GUSB | P08236 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL31018735 | 0.86 | CA1 (0.65) | LMNAALDH1A1MAPK1THRBTSHR | |
| Metronidazole SCHEMBL31108924 | 0.85 | LMNA (1.00) | LMNAALDH1A1MAPK1THRBTSHR | |
| Metronidazole SCHEMBL9481347 | 0.85 | LMNA (1.00) | LMNAALDH1A1MAPK1THRBTSHR | |
| Metronidazole SCHEMBL9482744 | 0.85 | LMNA (1.00) | LMNAALDH1A1MAPK1THRBTSHR | |
| Metronidazole SCHEMBL5313560 | 0.85 | LMNA (1.00) | LMNAALDH1A1MAPK1THRBTSHR | |
| Metronidazole SCHEMBL23042 | 0.85 | LMNA (1.00) | LMNAALDH1A1MAPK1THRBTSHR | |
| Metronidazole SCHEMBL2221140 | 0.85 | LMNA (1.00) | LMNAALDH1A1MAPK1THRBTSHR | |
| Metronidazole SCHEMBL9455119 | 0.85 | LMNA (1.00) | LMNAALDH1A1MAPK1THRBTSHR | |
| Metronidazole SCHEMBL21581878 | 0.84 | LMNA (0.91) | LMNAALDH1A1MAPK1THRBTSHR | |
| Metronidazole SCHEMBL8084615 | 0.84 | LMNA (0.97) | LMNAALDH1A1MAPK1THRBTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-117924185-A | Preparation method of metronidazole impurity F | 北京康派森医药科技有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-117924185-A | Preparation method of metronidazole impurity F | 北京康派森医药科技有限公司 | 2024-04-26 | — | — | CN | disclosed |