Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8048512 | 0.88 | PKM (0.51) | PKMCA2CA9CA12CA1 | |
| SCHEMBL31525849 | 0.86 | PKM (0.50) | PKMCA2CA9CA12CA1 | |
| SCHEMBL21962105 | 0.85 | PKM (0.59) | PKMCA2CA9CA12CA1 | |
| SCHEMBL29469839 | 0.83 | CA2 (0.57) | PKMCA2CA9CA12CA1 | |
| SCHEMBL2446085 | 0.83 | CA2 (0.57) | PKMCA2CA9CA12CA1 | |
| SCHEMBL31172585 | 0.82 | PKM (0.52) | PKMCA2CA9CA12CA1 | |
| SCHEMBL35406099 | 0.81 | PKM (0.54) | PKMCA2CA9CA12CA1 | |
| SCHEMBL5189382 | 0.81 | PKM (0.54) | PKMCA2CA9CA12CA1 | |
| SCHEMBL31172598 | 0.79 | PKM (0.44) | PKMCA2CA9CA12CA1 | |
| SCHEMBL31525811 | 0.79 | PKM (0.56) | PKMCA2CA9CA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105102449-B | Antiviral compound | 豪夫迈·罗氏有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | disclosed |