Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.56 |
| ▸ | NQO2 | P16083 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31188795 | 1.00 | KIF11 (0.56) | KIF11NQO2ALDH1A1TSHRMEN1 | |
| Benzaldehyde SCHEMBL29064698 | 0.83 | MEN1 (0.53) | KIF11NQO2ALDH1A1TSHRMEN1 | |
| SCHEMBL29537934 | 0.82 | NQO2 (0.54) | NQO2ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL23875528 | 0.79 | TUBB4A (0.51) | KIF11NQO2ALDH1A1TSHRMEN1 | |
| SCHEMBL31188782 | 0.79 | KIF11 (0.58) | KIF11ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL25783382 | 0.79 | NQO2 (0.53) | KIF11NQO2ALDH1A1TSHRMEN1 | |
| SCHEMBL6626500 | 0.79 | PIM1 (0.58) | KIF11ALDH1A1MEN1KMT2AKDM4E | |
| Murrayanine SCHEMBL3087481 | 0.78 | KIF11 (0.54) | KIF11NQO2ALDH1A1TSHRMEN1 | |
| SCHEMBL31188788 | 0.78 | AR (0.60) | NQO2ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL31612421 | 0.78 | TUBB4A (0.51) | NQO2ALDH1A1TSHRMEN1KMT2A |
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-113620811-B | Halogenation method of aromatic compound | 中国科学院兰州化学物理研究所 | 2022-05-24 | — | — | CN | disclosed |