Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PHGDH | O43175 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11799256 | 1.00 | CES1 (0.66) | CES1ALDH1A1CES2TSHRCA1 | |
| SCHEMBL11803967 | 0.82 | CYP3A4 (0.52) | CES1ALDH1A1CES2TSHRL3MBTL1 | |
| SCHEMBL11803959 | 0.82 | CYP3A4 (0.52) | CES1ALDH1A1CES2TSHRL3MBTL1 | |
| SCHEMBL9486193 | 0.81 | CES1 (0.76) | CES1ALDH1A1CES2TSHRCA1 | |
| SCHEMBL4603989 | 0.80 | CES1 (1.00) | CES1ALDH1A1CES2TSHRCA1 | |
| SCHEMBL2299958 | 0.79 | ALDH1A1 (0.62) | CES1ALDH1A1CES2TSHRCA1 | |
| SCHEMBL2299963 | 0.79 | ALDH1A1 (0.62) | CES1ALDH1A1CES2TSHRCA1 | |
| SCHEMBL10846501 | 0.79 | CES1 (0.66) | CES1ALDH1A1CES2TSHRCA1 | |
| SCHEMBL10846498 | 0.79 | CES1 (0.66) | CES1ALDH1A1CES2TSHRCA1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL43141 | 0.77 | ALDH1A1 (1.00) | CES1ALDH1A1CES2TSHRCA1 |
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-106336383-B | A kind of trinitrogenazole alcohol analog derivative and its preparation method and application | 中国人民解放军第二军医大学 | 2019-05-14 | — | — | CN | disclosed |
| CN-106336383-A | Triazole alcohol derivative and preparation method and application thereof | 中国人民解放军第二军医大学 | 2017-01-18 | — | — | CN | disclosed |
| US-3986974-A | AROYL-N-HYDROXYFORMIMIDOYL HALIDES AS BLEACH ACTIVATORS | AMERICAN CYANAMID COMPANY (US) | 1976-10-19 | — | — | US | disclosed |