Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | SFRP1 | Q8N474 | 2/20 | 0.38 |
| ▸ | MMP7 | P09237 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28022848 | 0.90 | PDK1 (0.42) | PDK1PDK2PDK3PDK4SFRP1 | |
| SCHEMBL28022383 | 0.89 | SFRP1 (0.44) | PDK1PDK2PDK3PDK4SFRP1 | |
| SCHEMBL16013878 | 0.78 | RORC (0.46) | PDK1PDK2PDK3PDK4SFRP1 | |
| SCHEMBL28022895 | 0.77 | MMP7 (0.40) | MMP7 | |
| SCHEMBL28022345 | 0.74 | PTGS2 (0.44) | CA12CA2 | |
| SCHEMBL17394083 | 0.73 | — | — | |
| SCHEMBL17394085 | 0.73 | — | — | |
| SCHEMBL17394426 | 0.73 | — | — | |
| SCHEMBL28022416 | 0.73 | POLB (0.46) | PDK1PDK2PDK3PDK4MMP7 | |
| SCHEMBL28847087 | 0.69 | TSHR (0.54) | — |
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-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | disclosed |