Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 12/20 | 0.61 |
| ▸ | CA2 | P00918 | 12/20 | 0.61 |
| ▸ | CA4 | P22748 | 12/20 | 0.61 |
| ▸ | CA9 | Q16790 | 12/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL23130818 | 0.87 | CA1 (0.60) | CA1CA2CA4CA9HTT | |
| SCHEMBL23153553 | 0.86 | HTT (0.59) | CA1CA2CA4CA9HTT | |
| SCHEMBL26005266 | 0.85 | CA1 (0.61) | CA1CA2CA4CA9HTT | |
| SCHEMBL27830495 | 0.85 | CA1 (0.64) | CA1CA2CA4CA9HTT | |
| SCHEMBL27830486 | 0.85 | CA1 (0.61) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL27848942 | 0.82 | CA1 (0.48) | CA1CA2CA4CA9HTT | |
| SCHEMBL27830487 | 0.81 | KDM4E (0.62) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL20604184 | 0.80 | HTT (0.78) | CA1CA2CA4CA9HTT | |
| SCHEMBL11349132 | 0.77 | CA1 (0.56) | CA1CA2CA4CA9HTT | |
| SCHEMBL27848904 | 0.77 | CA1 (0.44) | CA1CA2CA4CA9HTT |
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-102336718-A | Fluorine-containing triazole derivatives and preparation method thereof | UNIV SHANGHAI | 2012-02-01 | — | — | CN | disclosed |