Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 7/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | GLS | O94925 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | PREP | P48147 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27808912 | 0.87 | CA1 (0.47) | CA1CA2CA7CA12CA9 | |
| SCHEMBL27808914 | 0.87 | CA1 (0.47) | CA1CA2CA7CA12CA9 | |
| SCHEMBL28421451 | 0.86 | CTSK (0.46) | CA1CA2CA7CA12CA9 | |
| SCHEMBL28419429 | 0.84 | CTSK (0.48) | CA1CA2CA7CA12CA9 | |
| SCHEMBL28891223 | 0.84 | CTSK (0.44) | CA1CA2CA7CA12CA9 | |
| SCHEMBL28423245 | 0.83 | CTSK (0.49) | CA1CA2CA7CA12CA9 | |
| SCHEMBL11602026 | 0.79 | CA1 (0.47) | CA1CA2CA7CA12CTSK | |
| SCHEMBL1333292 | 0.78 | CA1 (0.49) | CA1CA2CA7CA12CTSK | |
| SCHEMBL27808939 | 0.76 | CTSK (0.51) | CA1CA2CA7CTSKKMT2A | |
| SCHEMBL27808938 | 0.76 | CTSK (0.51) | CA1CA2CA7CTSKKMT2A |
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-106117295-B | Adefovir monothiol-amino acid ester mono-cholate derivative and preparation method thereof | 贵州医科大学 | 2020-05-22 | — | — | CN | disclosed |