Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 5/20 | 0.43 |
| ▸ | GSK3A | P49840 | 4/20 | 0.43 |
| ▸ | AURKA | O14965 | 11/20 | 0.42 |
| ▸ | JAK2 | O60674 | 4/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2516504 | 0.83 | HDAC3 (0.43) | HDAC3HDAC1HDAC2HDAC6GSK3B | |
| SCHEMBL578612 | 0.83 | GSK3B (0.53) | HDAC3HDAC1HDAC2HDAC6GSK3B | |
| SCHEMBL10148230 | 0.83 | AURKA (0.48) | HDAC3HDAC1HDAC2HDAC6GSK3B | |
| SCHEMBL578690 | 0.80 | GSK3A (0.56) | GSK3BGSK3AAURKAJAK2NTRK1 | |
| SCHEMBL21725113 | 0.72 | AURKA (0.49) | HDAC3HDAC1HDAC2HDAC6AURKA | |
| SCHEMBL14621366 | 0.71 | AURKA (0.59) | GSK3BGSK3AAURKAJAK2AURKB | |
| SCHEMBL2523254 | 0.71 | GSK3B (0.54) | GSK3BGSK3AAURKAJAK2AURKB | |
| SCHEMBL578613 | 0.71 | GSK3B (0.67) | GSK3BGSK3AAURKAJAK2AURKB | |
| SCHEMBL3135192 | 0.71 | SYK (0.56) | HDAC3HDAC1HDAC2HDAC6AURKA | |
| SCHEMBL11596462 | 0.70 | MAPK13 (0.52) | HDAC3HDAC1HDAC2HDAC6 |
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-2027107-B1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2012-02-15 | — | — | EP | disclosed |