Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | TSPO | P30536 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29799896 | 1.00 | ESR1 (0.42) | ESR1ALOX5GAAMAPTPOLB | |
| SCHEMBL24682966 | 0.92 | ALOX5 (0.47) | ALOX5GAAMAPTLMNATRPM8 | |
| SCHEMBL29799882 | 0.92 | ALOX5 (0.47) | ALOX5GAAMAPTLMNATRPM8 | |
| SCHEMBL29800048 | 0.92 | LMNA (0.45) | ALOX5GAAMAPTMEN1KMT2A | |
| SCHEMBL24683154 | 0.92 | LMNA (0.45) | ALOX5GAAMAPTMEN1KMT2A | |
| SCHEMBL24683189 | 0.91 | ESR1 (0.43) | ESR1ALOX5GAAMAPTKDM4E | |
| SCHEMBL29799959 | 0.91 | ESR1 (0.43) | ESR1ALOX5GAAMAPTKDM4E | |
| SCHEMBL24682822 | 0.82 | ALOX5 (0.48) | ALOX5GAAMAPTMEN1KMT2A | |
| SCHEMBL29799819 | 0.82 | ALOX5 (0.48) | ALOX5GAAMAPTMEN1KMT2A | |
| SCHEMBL24683210 | 0.81 | ESR1 (0.39) | ESR1MAPTMEN1KMT2AKDM4E |
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 |