Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.72 |
| ▸ | CA1 | P00915 | 1/20 | 0.72 |
| ▸ | CA2 | P00918 | 1/20 | 0.72 |
| ▸ | CA3 | P07451 | 1/20 | 0.72 |
| ▸ | CA4 | P22748 | 1/20 | 0.72 |
| ▸ | CA5A | P35218 | 1/20 | 0.72 |
| ▸ | CA7 | P43166 | 1/20 | 0.72 |
| ▸ | CA9 | Q16790 | 1/20 | 0.72 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.72 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.60 |
| ▸ | LCK | P06239 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | HPGD | P15428 | 5/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | CDC25A | P30304 | 2/20 | 0.51 |
| ▸ | CDC25C | P30307 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6031059 | 0.84 | CA12 (0.78) | CA12CA1CA2CA3CA4 | |
| SCHEMBL28878363 | 0.84 | CA12 (1.00) | CA12CA1CA2CA3CA4 | |
| SCHEMBL6031499 | 0.78 | CYP2D6 (0.76) | CA12CA1CA2CA3CA4 | |
| SCHEMBL6030326 | 0.78 | CA12 (0.68) | CA12CA1CA2CA3CA4 | |
| SCHEMBL6030323 | 0.78 | CA12 (0.68) | CA12CA1CA2CA3CA4 | |
| SCHEMBL6029898 | 0.77 | CA12 (0.67) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3911979 | 0.76 | KDM4E (0.69) | CA12CA1CA2CA3CA4 | |
| SCHEMBL14424527 | 0.76 | KDM4E (0.73) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3194989 | 0.75 | KDM4E (0.72) | CA12CA1CA2CA3CA4 | |
| SCHEMBL23871953 | 0.75 | CYP2C19 (0.81) | CA12CA2CA3CA4CA7 |
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-107056759-B | Novel quaternary ammonium salt fluorescent probe and application thereof | 北京师范大学 | 2021-03-23 | — | — | CN | disclosed |