Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HNF4A | P41235 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4470081 | 0.82 | ESR2 (0.42) | ESR2CYP2A6CYP2B6CTRC | |
| SCHEMBL28963238 | 0.81 | ESR2 (0.45) | ESR2BACE1ALOX5CYP2A6ALDH1A1 | |
| SCHEMBL10617137 | 0.81 | ESR2 (0.55) | ESR2HDAC4HDAC2HDAC8HDAC6 | |
| SCHEMBL6423564 | 0.79 | ESR2 (0.53) | ESR2HDAC4HDAC2HDAC8HDAC6 | |
| SCHEMBL9469704 | 0.79 | ESR2 (0.53) | ESR2HDAC4HDAC2HDAC8HDAC6 | |
| SCHEMBL28152739 | 0.79 | BACE1 (0.50) | ESR2HDAC4HDAC2HDAC8HDAC6 | |
| SCHEMBL932320 | 0.79 | CYP2A6 (0.48) | ESR2HDAC4HDAC2HDAC8HDAC6 | |
| SCHEMBL11060541 | 0.79 | ESR2 (0.44) | ESR2BACE1ALOX5CYP2A6CYP2B6 | |
| Methane SCHEMBL28025030 | 0.79 | ESR2 (0.53) | ESR2HDAC4HDAC2HDAC8HDAC6 | |
| Methane SCHEMBL28112790 | 0.78 | BACE1 (0.48) | ESR2HDAC4HDAC2HDAC8HDAC6 |
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-112639052-A | Material for organic electroluminescent device | 默克专利有限公司 | 2021-04-09 | — | — | CN | disclosed |