Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.41 |
| ▸ | PDE4A | P27815 | 3/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28022935 | 1.00 | QDPR (0.48) | QDPRPKMPDE4BPDE4APDE4C | |
| SCHEMBL24313730 | 0.81 | CA12 (0.54) | QDPRPKMPDE4BPDE4APDE4C | |
| SCHEMBL29587540 | 0.81 | CA12 (0.54) | QDPRPKMPDE4BPDE4APDE4C | |
| SCHEMBL25318742 | 0.78 | TRPV4 (0.58) | QDPRPDE4BPDE4APDE4CPDE4D | |
| SCHEMBL15314625 | 0.73 | QDPR (0.48) | QDPRPDE4BPDE4APDE4CPDE4D | |
| SCHEMBL18664745 | 0.73 | QDPR (0.48) | QDPRPDE4BPDE4APDE4CPDE4D | |
| SCHEMBL27952873 | 0.72 | CA12 (0.42) | QDPRCA2CA12CA9ESR2 | |
| SCHEMBL31525337 | 0.72 | CA2 (0.49) | QDPRPKMPDE4BPDE4APDE4C | |
| SCHEMBL11130424 | 0.72 | QDPR (0.76) | QDPRCA2NR3C1ALOX5PTPN1 | |
| SCHEMBL30394377 | 0.71 | PDE4B (0.49) | QDPRPDE4BPDE4APDE4CPDE4D |
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 |