Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CA4 | P22748 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.37 |
| ▸ | NQO2 | P16083 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.35 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29314 | 0.84 | — | — | |
| SCHEMBL29404525 | 0.84 | — | — | |
| Methyl Alcohol SCHEMBL5898900 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CA4CA1CA2CA12 | |
| SCHEMBL30007372 | 0.81 | — | — | |
| Lithium SCHEMBL9651351 | 0.81 | — | — | |
| SCHEMBL9651341 | 0.81 | — | — | |
| Methoxymethane SCHEMBL632535 | 0.80 | CA2 (0.48) | ALDH1A1CA4CA1CA2CA12 | |
| Propane SCHEMBL11811265 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CA4CA1CA2MAPK1 | |
| SCHEMBL28769397 | 0.78 | TSHR (0.50) | ALDH1A1CA1CA12CA9IDO1 | |
| SCHEMBL29424769 | 0.76 | — | — |
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-106068263-A | Antimitotic amides for the treatment of cancer and proliferative diseases | 弗洛斯特生物科技有限公司 | 2016-11-02 | — | — | CN | disclosed |