Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.71 |
| ▸ | CA9 | Q16790 | 6/20 | 0.71 |
| ▸ | CA1 | P00915 | 4/20 | 0.71 |
| ▸ | CA2 | P00918 | 3/20 | 0.71 |
| ▸ | CA3 | P07451 | 3/20 | 0.71 |
| ▸ | CA4 | P22748 | 3/20 | 0.71 |
| ▸ | CA7 | P43166 | 3/20 | 0.71 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.71 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.71 |
| ▸ | CA5A | P35218 | 2/20 | 0.71 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.71 |
| ▸ | CA6 | P23280 | 2/20 | 0.71 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.71 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 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 | |
|---|---|---|---|---|
| Coumarin SCHEMBL1377362 | 0.90 | CA12 (0.67) | CA12CA9CA1CA2CA3 | |
| Coumarin SCHEMBL30733982 | 0.90 | CA12 (0.67) | CA12CA9CA1CA2CA3 | |
| Coumarin SCHEMBL28314951 | 0.88 | CA12 (0.65) | CA12CA9CA1CA2CA3 | |
| Coumarin SCHEMBL3441294 | 0.84 | CA12 (1.00) | CA12CA9CA1CA2CA3 | |
| Coumarin SCHEMBL28886137 | 0.84 | CA12 (1.00) | CA12CA9CA1CA2CA3 | |
| Coumarin SCHEMBL6252 | 0.84 | CA12 (1.00) | CA12CA9CA1CA2CA3 | |
| Coumarin SCHEMBL621751 | 0.84 | CA12 (1.00) | CA12CA9CA1CA2CA3 | |
| Coumarin SCHEMBL29385611 | 0.84 | CA12 (1.00) | CA12CA9CA1CA2CA3 | |
| Coumarin SCHEMBL1038138 | 0.84 | CA12 (1.00) | CA12CA9CA1CA2CA3 | |
| Coumarin SCHEMBL2301559 | 0.82 | CA12 (0.95) | CA12CA9CA1CA2CA3 |
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-109593087-A | A kind of multichannel distinguishes detection Cys/Hcy, GSH and H simultaneously2Design, synthesis and the application of the fluorescence probe of S | 中南大学 | 2019-04-09 | — | — | CN | disclosed |