Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.43 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL265495 | 0.92 | KDM1A (0.48) | KDM1AKCNH2MAOBRCOR1KDM1B | |
| SCHEMBL14804315 | 0.92 | KDM1A (0.48) | KDM1AKCNH2MAOBRCOR1KDM1B | |
| SCHEMBL9184183 | 0.89 | KDM1A (0.36) | KDM1AKCNH2MAOBRCOR1KDM1B | |
| SCHEMBL10743509 | 0.89 | ESR2 (0.57) | KDM1AKCNH2MAOBRCOR1KDM1B | |
| SCHEMBL10743505 | 0.89 | ESR2 (0.57) | KDM1AKCNH2MAOBRCOR1KDM1B | |
| SCHEMBL9184185 | 0.89 | KDM1A (0.36) | KDM1AKCNH2MAOBRCOR1KDM1B | |
| Hydrochloric Acid SCHEMBL5060582 | 0.87 | KDM1A (0.48) | KDM1AKCNH2MAOBRCOR1KDM1B | |
| Methyl Alcohol SCHEMBL27656751 | 0.85 | ESR2 (0.50) | KDM1AKCNH2MAOBRCOR1KDM1B | |
| Cyanide SCHEMBL27694948 | 0.85 | KDM1A (0.43) | KDM1AKCNH2MAOBRCOR1KDM1B | |
| SCHEMBL10743018 | 0.84 | ALDH1A1 (0.49) | KDM1ARCOR1ESR2BRD4ESR1 |
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-112980457-A | Liquid crystal compound, liquid crystal composition, liquid crystal display element, or liquid crystal display | 石家庄诚志永华显示材料有限公司 | 2021-06-18 | — | — | CN | disclosed |