Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.47 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24307501 | 1.00 | AHR (0.48) | AHRESR2ESR1CYP1B1ALOX5 | |
| SCHEMBL25736310 | 0.87 | ESR1 (0.59) | ESR2ESR1ALOX5CA1CA2 | |
| SCHEMBL21076148 | 0.87 | AHR (0.64) | AHRESR2ESR1CYP1B1ALOX5 | |
| SCHEMBL19269566 | 0.87 | ESR1 (0.59) | ESR2ESR1ALOX5CA1CA2 | |
| SCHEMBL12885982 | 0.85 | ESR1 (0.57) | ESR2ESR1ALOX5CA1CA2 | |
| SCHEMBL14490069 | 0.83 | ESR1 (0.55) | ESR2ESR1CYP1B1ALOX5CA1 | |
| SCHEMBL20313369 | 0.83 | ESR1 (0.55) | ESR2ESR1CYP1B1ALOX5CA1 | |
| SCHEMBL14490061 | 0.83 | ESR1 (0.55) | ESR2ESR1CYP1B1ALOX5CA1 | |
| SCHEMBL21834815 | 0.83 | ESR1 (0.55) | ESR2ESR1CYP1B1ALOX5CA1 | |
| SCHEMBL6372569 | 0.83 | ESR1 (0.55) | ESR2ESR1CYP1B1ALOX5CA1 |
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-116349429-A | Arylamine compound, organic electroluminescent element, and electronic device | 保土谷化学工业株式会社 | 2023-06-27 | — | — | CN | disclosed |
| WO-2022080490-A1 | ARYLAMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 保土谷化学工業株式会社 | 2022-04-21 | — | — | WO | disclosed |