Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.71 |
| ▸ | CA1 | P00915 | 6/20 | 0.71 |
| ▸ | CA9 | Q16790 | 6/20 | 0.71 |
| ▸ | CA5A | P35218 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL3530326 | 0.85 | CA1 (0.54) | CA2CA1CA9CA5ALMNA | |
| SCHEMBL30362278 | 0.83 | CA1 (1.00) | CA2CA1CA9CA5ALMNA | |
| SCHEMBL2181057 | 0.83 | CA1 (1.00) | CA2CA1CA9CA5ALMNA | |
| SCHEMBL3527108 | 0.83 | CA1 (0.51) | CA2CA1CA9CA5ALMNA | |
| SCHEMBL19475233 | 0.82 | CA2 (0.73) | CA2CA1CA9CA5ALMNA | |
| SCHEMBL7339510 | 0.82 | CA2 (0.73) | CA2CA1CA9CA5ALMNA | |
| SCHEMBL8539302 | 0.81 | CA2 (0.71) | CA2CA1CA9CA5ALMNA | |
| SCHEMBL9620280 | 0.81 | CA1 (0.57) | CA2CA1CA9CA5ALMNA | |
| SCHEMBL10434836 | 0.80 | CA2 (0.51) | CA2CA1CA9CA5ALMNA | |
| SCHEMBL10589856 | 0.80 | CA2 (0.51) | CA2CA1CA9CA5ATSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110143999-A | Have cytotoxicity and antimitotic compound and its application method | 酵活有限公司 | 2019-08-20 | — | — | CN | disclosed |
| CN-105358174-B | Cytotoxic and antimitotic compounds and methods of use thereof | 酵活有限公司 | 2019-03-15 | — | — | CN | disclosed |