Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 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 | |
|---|---|---|---|---|
| SCHEMBL28080391 | 0.89 | KDM4E (0.49) | ALDH1A1LMNAKDM4ECYP2C9CYP2C19 | |
| SCHEMBL28080392 | 0.88 | ALDH1A1 (0.42) | ALDH1A1LMNAKDM4ECYP2C9CYP2C19 | |
| SCHEMBL28593529 | 0.82 | TSHR (0.51) | ALDH1A1LMNAHSD17B10TSHRTDP1 | |
| SCHEMBL24880001 | 0.81 | ALDH1A1 (0.40) | ALDH1A1LMNAKDM4ETSHRTDP1 | |
| SCHEMBL28080388 | 0.80 | ATM (0.46) | ALDH1A1KDM4ETSHRL3MBTL1MAPT | |
| SCHEMBL29859779 | 0.80 | TSHR (0.47) | ALDH1A1LMNAKDM4ECYP2C9CYP2C19 | |
| SCHEMBL6559030 | 0.80 | TSHR (0.47) | ALDH1A1LMNAKDM4ECYP2C9CYP2C19 | |
| SCHEMBL1819716 | 0.77 | GABRP (0.44) | ALDH1A1KDM4ETSHRL3MBTL1GABRP | |
| SCHEMBL30968742 | 0.77 | GABRP (0.44) | ALDH1A1KDM4ETSHRL3MBTL1GABRP | |
| SCHEMBL31261177 | 0.77 | TSHR (0.44) | ALDH1A1LMNAKDM4EHSD17B10TSHR |
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-105777623-A | Method for preparing pyridine side chain methyl quaternary ammonium compound | 北京颖泰嘉和生物科技股份有限公司 | 2016-07-20 | — | — | CN | disclosed |