Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.31 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.30 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.30 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26453331 | 0.76 | PARP1 (0.38) | PARP1CA12CA9CLK4DYRK1B | |
| SCHEMBL31310202 | 0.73 | PARP1 (0.36) | PARP1CA12CA9CLK4DYRK1B | |
| SCHEMBL38651043 | 0.73 | PARP1 (0.41) | PARP1CA12CA9CLK4DYRK1B | |
| SCHEMBL27384245 | 0.73 | PARP1 (0.41) | PARP1CA12CA9CLK4DYRK1B | |
| SCHEMBL29226365 | 0.69 | PARP1 (0.41) | PARP1CA12CA9CLK4DYRK1B | |
| SCHEMBL20104801 | 0.69 | NTRK2 (0.41) | PARP1CA12CA9CLK4DYRK1B | |
| SCHEMBL29338632 | 0.69 | PARP1 (0.38) | PARP1CA12CA9CLK4DYRK1B | |
| SCHEMBL29338695 | 0.69 | PARP1 (0.38) | PARP1CA12CA9CLK4DYRK1B | |
| SCHEMBL31310141 | 0.69 | PARP1 (0.38) | PARP1CA12CA9CLK4DYRK1B | |
| SCHEMBL27975225 | 0.68 | PRF1 (0.35) | — |
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-103958521-A | Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |
| CN-103958475-A | Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |