Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 17/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19354042 | 1.00 | KCNH2 (0.39) | KCNH2CYP3A4MPOCACNA1CNR1I2 | |
| SCHEMBL30701051 | 0.88 | KCNH2 (0.47) | KCNH2CYP3A4CACNA1CNR1I2HTR1A | |
| SCHEMBL19354234 | 0.88 | KCNH2 (0.47) | KCNH2CYP3A4CACNA1CNR1I2HTR1A | |
| SCHEMBL19331310 | 0.83 | KCNH2 (0.45) | KCNH2 | |
| SCHEMBL30701170 | 0.83 | KCNH2 (0.45) | KCNH2 | |
| SCHEMBL30701035 | 0.82 | KCNH2 (0.42) | KCNH2CYP3A4MPOCACNA1CHTR2A | |
| SCHEMBL19354154 | 0.82 | KCNH2 (0.42) | KCNH2CYP3A4MPOCACNA1CHTR2A | |
| SCHEMBL28446574 | 0.81 | ADORA2A (0.41) | KCNH2CACNA1CNR1I2HTR1AHTR2A | |
| SCHEMBL6523099 | 0.81 | KCNH2 (0.39) | KCNH2CACNA1CNR1I2HTR1AHTR2A | |
| SCHEMBL19331225 | 0.81 | KCNH2 (0.43) | KCNH2CYP3A4MPOCACNA1CNR1I2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109069514-B | Antibacterial compound and application thereof | 结核病药物开发全球联盟公司 | 2023-12-29 | — | — | CN | disclosed |