Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 7/20 | 0.41 |
| ▸ | TSPO | P30536 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29799894 | 1.00 | PDK1 (0.41) | PDK1TSPOMAOBMAPTSNCA | |
| SCHEMBL24683897 | 0.92 | MAOB (0.40) | PDK1TSPOMAOBMAPTSNCA | |
| SCHEMBL29800148 | 0.92 | MAOB (0.40) | PDK1TSPOMAOBMAPTSNCA | |
| SCHEMBL29799815 | 0.89 | PDK1 (0.45) | PDK1TSPOMAOBMAPTSNCA | |
| SCHEMBL24682202 | 0.89 | PDK1 (0.45) | PDK1TSPOMAOBMAPTSNCA | |
| SCHEMBL24682174 | 0.87 | TSPO (0.44) | PDK1TSPOLTB4R2ESR1ESR2 | |
| SCHEMBL29799804 | 0.87 | TSPO (0.44) | PDK1TSPOLTB4R2ESR1ESR2 | |
| SCHEMBL24682178 | 0.85 | MAPT (0.43) | PDK1TSPOMAPTTRPV1LMNA | |
| SCHEMBL29800041 | 0.85 | MAPT (0.43) | PDK1TSPOMAPTTRPV1LMNA | |
| SCHEMBL24682194 | 0.85 | TSPO (0.42) | PDK1TSPOMAPTRAB9AESR1 |
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 |