Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | PYGL | P06737 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28343422 | 0.89 | DRD4 (0.48) | ALDH1A1DRD4ADRA2CKDM4E | |
| SCHEMBL20203110 | 0.89 | DRD4 (0.48) | ALDH1A1DRD4ADRA2CKDM4E | |
| SCHEMBL29847833 | 0.84 | ALDH1A1 (0.60) | ALDH1A1GLADRD4TP53CYP3A4 | |
| SCHEMBL25812948 | 0.83 | CA12 (0.53) | ALDH1A1GLADRD4TP53CYP3A4 | |
| SCHEMBL7966936 | 0.83 | ALDH1A1 (0.54) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL16923006 | 0.83 | ALDH1A1 (0.57) | ALDH1A1GLADRD4TP53CYP3A4 | |
| SCHEMBL7966930 | 0.83 | ALDH1A1 (0.54) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL7966929 | 0.83 | ALDH1A1 (0.54) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL28343556 | 0.82 | DRD4 (0.41) | ALDH1A1DRD4TDP1KDM4ESLC6A4 | |
| SCHEMBL4892470 | 0.82 | ALDH1A1 (0.49) | ALDH1A1GLATP53CYP3A4TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115385847-B | Polysubstituted diaryl compound, preparation method and application thereof | 山东第一医科大学(山东省医学科学院) | 2023-09-29 | — | — | CN | disclosed |
| WO-2022262350-A1 | SUBSTITUTED DIARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 山东第一医科大学(山东省医学科学院) | 2022-12-22 | — | — | WO | disclosed |
| CN-115385847-A | Polysubstituted diaryl compound and preparation method and application thereof | 山东第一医科大学(山东省医学科学院) | 2022-11-25 | — | — | CN | disclosed |
| CN-113387873-B | Substituted diaryl compound, preparation method and application thereof | 山东第一医科大学(山东省医学科学院) | 2022-09-20 | — | — | CN | disclosed |