Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.44 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27105052 | 1.00 | ESR1 (0.48) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL28749155 | 0.83 | CYP1A2 (0.39) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL29690433 | 0.83 | CYP1A2 (0.39) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL29823876 | 0.81 | CRHBP (0.50) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL31197565 | 0.81 | CRHBP (0.50) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL1231019 | 0.81 | CRHBP (0.50) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL25501487 | 0.78 | CRHBP (0.47) | ESR1ALOX5CA2CA9HSD17B1 | |
| SCHEMBL15902840 | 0.78 | ESR1 (0.71) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL30239993 | 0.78 | ESR1 (0.71) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL5013872 | 0.78 | ESR1 (0.71) | ESR1ESR2ALOX5CA1CA2 |
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-114539287-B | Polycyclic aromatic compound and application thereof in electroluminescent device | 清华大学 | 2024-11-15 | — | — | CN | disclosed |
| CN-114539287-A | Polycyclic aromatic compound and application thereof in electroluminescent device | 清华大学 | 2022-05-27 | — | — | CN | disclosed |