Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.65 |
| ▸ | CES1 | P23141 | 4/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2156696 | 0.80 | CES2 (1.00) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL6606616 | 0.80 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL31355013 | 0.80 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL3930009 | 0.79 | CES2 (0.58) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL2498608 | 0.76 | CES2 (0.59) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL15180841 | 0.74 | CES2 (0.77) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL6002438 | 0.74 | CES2 (0.77) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL27807409 | 0.72 | CES2 (0.74) | CES2CES1ALDH1A1ALOX15GAA | |
| Water SCHEMBL28342640 | 0.72 | CES2 (0.74) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL5251512 | 0.72 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109627248-A | The method of level-one amine guiding building 6- (the bromo- 2- fluorophenyl of 4-) indoles simultaneously [1,2-a] quinoxaline | 桂林理工大学 | 2019-04-16 | — | — | CN | claimed |
| CN-109627248-A | The method of level-one amine guiding building 6- (the bromo- 2- fluorophenyl of 4-) indoles simultaneously [1,2-a] quinoxaline | 桂林理工大学 | 2019-04-16 | — | — | CN | disclosed |
| CN-109627248-A | The method of level-one amine guiding building 6- (the bromo- 2- fluorophenyl of 4-) indoles simultaneously [1,2-a] quinoxaline | 桂林理工大学 | 2019-04-16 | — | — | CN | disclosed |