Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA7 | P43166 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SPR | P35270 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL105255 | 0.86 | CES2 (0.64) | CES2CES1ALDH1A1ALOX15MEN1 | |
| SCHEMBL15578239 | 0.84 | CES2 (0.61) | CES2CES1ALDH1A1ALOX15MEN1 | |
| SCHEMBL11520949 | 0.84 | CA2 (0.59) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL617480 | 0.80 | CA12 (0.70) | CES2CES1ALDH1A1CA12CA1 | |
| Methylene Chloride SCHEMBL28186741 | 0.80 | CES2 (0.56) | CES2CES1ALDH1A1ALOX15MEN1 | |
| SCHEMBL9836255 | 0.78 | ALDH1A1 (0.65) | CES2CES1ALDH1A1ALOX15MEN1 | |
| SCHEMBL28138125 | 0.78 | CES2 (0.54) | CES2CES1ALDH1A1ALOX15CA12 | |
| SCHEMBL476873 | 0.78 | ALDH1A1 (0.71) | CES2CES1ALDH1A1ALOX15MEN1 | |
| SCHEMBL8174459 | 0.78 | CES2 (0.54) | CES2CES1ALDH1A1CA12CA1 | |
| SCHEMBL28871108 | 0.78 | CA12 (0.67) | CES2CES1ALDH1A1CA12CA1 |
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-103992336-B | Oxa-or thia evodiamine anti-tumor derivant and preparation method thereof | 中国人民解放军第二军医大学 | 2017-01-04 | — | — | CN | disclosed |