Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23262633 | 0.86 | ESR1 (0.50) | ESR1ESR2TAAR1MAPK1KIF11 | |
| SCHEMBL29387354 | 0.76 | GABRA1 (0.37) | — | |
| SCHEMBL21986188 | 0.76 | GABRA1 (0.37) | — | |
| SCHEMBL24327055 | 0.73 | ESR1 (0.60) | ESR1ESR2TAAR1MAPK1KIF11 | |
| SCHEMBL430941 | 0.72 | ESR1 (0.70) | ESR1ESR2TAAR1MAPK1CYP2B6 | |
| SCHEMBL8335012 | 0.72 | ESR1 (0.70) | ESR1ESR2TAAR1MAPK1CYP2B6 | |
| SCHEMBL23263378 | 0.70 | ALDH1A1 (0.50) | ESR1ESR2TAAR1MAPK1KIF11 | |
| SCHEMBL22769412 | 0.70 | ESR1 (0.50) | ESR1ESR2TAAR1MAPK1ALDH1A1 | |
| SCHEMBL5887915 | 0.70 | ESR1 (0.75) | ESR1ESR2TAAR1MAPK1CYP2B6 | |
| SCHEMBL11519002 | 0.70 | ESR1 (0.67) | ESR1ESR2TAAR1MAPK1CYP2B6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119219674-A | Boron-nitrogen-containing organic compound, application thereof and organic electroluminescent device | 北京鼎材科技有限公司 | 2024-12-31 | — | — | CN | disclosed |