Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18539510 | 0.87 | HDAC8 (0.45) | HDAC8HDAC6CYP2A6CA12CA1 | |
| SCHEMBL28507728 | 0.86 | CYP2A6 (0.42) | CYP2A6MEN1KMT2ARXFP1CES1 | |
| SCHEMBL28800017 | 0.84 | ALOX5 (0.46) | HDAC8HDAC6ALOX5CA12CA1 | |
| SCHEMBL30100401 | 0.83 | ALOX5 (0.52) | HDAC8HDAC6ALOX5CA12CA1 | |
| SCHEMBL1527423 | 0.83 | ALOX5 (0.52) | HDAC8HDAC6ALOX5CA12CA1 | |
| SCHEMBL3783582 | 0.82 | CA12 (0.48) | HDAC8HDAC6CYP2A6CA12CA1 | |
| SCHEMBL13706395 | 0.82 | CYP2A6 (0.47) | HDAC8HDAC6CYP2A6CA12CA1 | |
| SCHEMBL28491556 | 0.80 | HDAC8 (0.50) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL28286680 | 0.80 | CYP2A6 (0.47) | CYP2A6ALOX5MEN1KMT2ARXFP1 | |
| SCHEMBL15158453 | 0.80 | SOS1 (0.43) | HDAC8HDAC6CYP2A6ALOX5MEN1 |
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-112341470-B | Electron transport material, organic electroluminescent device and display device | 烟台京师材料基因组工程研究院 | 2022-11-22 | — | — | CN | disclosed |
| CN-112341470-A | Electron transport material, organic electroluminescent device and display device | 烟台京师材料基因组工程研究院 | 2021-02-09 | — | — | CN | disclosed |