Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 19/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16220153 | 0.94 | MAP3K12 (0.52) | MAP3K12 | |
| SCHEMBL22239533 | 0.90 | MAP3K12 (0.57) | MAP3K12 | |
| SCHEMBL16220150 | 0.82 | MAP3K12 (0.66) | MAP3K12 | |
| SCHEMBL16220160 | 0.81 | MAP3K12 (0.66) | MAP3K12 | |
| SCHEMBL16220058 | 0.80 | MAP3K12 (0.75) | MAP3K12 | |
| SCHEMBL16220402 | 0.79 | MAP3K12 (0.58) | MAP3K12 | |
| SCHEMBL22239571 | 0.79 | MAP3K12 (0.72) | MAP3K12 | |
| SCHEMBL16220155 | 0.78 | MAP3K12 (0.66) | MAP3K12 | |
| SCHEMBL22239518 | 0.77 | MAP3K12 (0.57) | MAP3K12 | |
| SCHEMBL16220466 | 0.75 | MAP3K12 (0.81) | MAP3K12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2991977-B1 | C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES | HOFFMANN LA ROCHE (CH) | 2020-07-22 | — | — | EP | disclosed |
| WO-2014177524-A1 | C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-06 | — | — | WO | disclosed |