Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30664687 | 1.00 | MAPK8 (0.41) | MAPK8MAPK10PDK2PDK4PDK1 | |
| SCHEMBL24682178 | 0.89 | MAPT (0.43) | PDK1ESR1ESR2TRPV1ALDH1A1 | |
| SCHEMBL29800041 | 0.89 | MAPT (0.43) | PDK1ESR1ESR2TRPV1ALDH1A1 | |
| SCHEMBL29799959 | 0.86 | ESR1 (0.43) | ESR1ESR2ALDH1A1GAAMAPT | |
| SCHEMBL24683189 | 0.86 | ESR1 (0.43) | ESR1ESR2ALDH1A1GAAMAPT | |
| SCHEMBL24682964 | 0.85 | ESR1 (0.39) | ESR1ESR2ALDH1A1GAAMAPT | |
| SCHEMBL30701715 | 0.85 | ESR1 (0.39) | ESR1ESR2ALDH1A1GAAMAPT | |
| SCHEMBL29799890 | 0.85 | ESR1 (0.39) | PDK2PDK4PDK1ESR1ESR2 | |
| SCHEMBL24683210 | 0.85 | ESR1 (0.39) | PDK2PDK4PDK1ESR1ESR2 | |
| SCHEMBL24682825 | 0.84 | MAOB (0.40) | PDK1ESR1ESR2ALDH1A1GAA |
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-117222630-A | 2-acetamido-6-hydroxy-benzothiophene derivatives having antiviral activity | OTC制药公司(JSC) | 2023-12-12 | — | — | CN | disclosed |
| WO-2022173329-A1 | 2-ACETAMIDO-6-HYDROXY-BENZOTHIOPHENE DERIVATIVES WITH ANTIVIRAL ACTIVITY | Акционерное общество "Отисифарм" | 2022-08-18 | — | — | WO | disclosed |