Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.32 |
| ▸ | CDC42BPB | Q9Y5S2 | 3/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21326589 | 0.83 | ROCK2 (0.32) | ROCK2ROCK1CDC42BPBNUDT1CDC42BPA | |
| SCHEMBL2067448 | 0.74 | CHRNB4 (0.32) | — | |
| SCHEMBL28278581 | 0.72 | — | — | |
| SCHEMBL12614904 | 0.71 | ADK (0.33) | — | |
| SCHEMBL6573198 | 0.69 | MEN1 (0.34) | — | |
| SCHEMBL28109886 | 0.69 | ADK (0.38) | — | |
| SCHEMBL28106499 | 0.67 | HPGD (0.36) | — | |
| SCHEMBL22462977 | 0.67 | NOTUM (0.39) | — | |
| SCHEMBL15416315 | 0.67 | ADK (0.31) | — | |
| SCHEMBL8879496 | 0.65 | HTR2C (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3535261-B1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2020-08-05 | — | — | EP | claimed |