Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 6/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19660155 | 0.85 | HDAC8 (0.50) | HDAC3HDAC1HDAC2HDAC4HDAC7 | |
| SCHEMBL19660200 | 0.83 | HDAC3 (0.48) | HDAC3HDAC1HDAC2HDAC4HDAC7 | |
| SCHEMBL22728863 | 0.83 | ALOX15 (0.47) | HDAC3HDAC1HDAC2HDAC4HDAC7 | |
| SCHEMBL23797019 | 0.80 | L3MBTL1 (0.55) | HPGDALDH1A1SMN1; SMN2KMT2APOLB | |
| SCHEMBL21654210 | 0.77 | MMP2 (0.50) | HDAC3HDAC1HDAC2HDAC4HDAC7 | |
| SCHEMBL17290763 | 0.74 | HDAC3 (0.52) | HDAC3HDAC1HDAC2HDAC4HDAC7 | |
| SCHEMBL19642557 | 0.74 | MMP2 (0.47) | HDAC3HDAC1HDAC2HDAC4HDAC7 | |
| SCHEMBL16563628 | 0.72 | MMP2 (0.51) | HDAC3HDAC1HDAC2HDAC4HDAC7 | |
| SCHEMBL5747073 | 0.72 | HDAC3 (0.45) | HDAC3HDAC1HDAC2HDAC4HDAC7 | |
| SCHEMBL6141283 | 0.72 | HDAC3 (0.54) | HDAC3HDAC1HDAC2HDAC4HDAC7 |
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-3580211-B1 | 2-HETEROARYL-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES FOR THE TREATMENT OF CANCER | BAYER AG (DE) | 2020-12-02 | — | — | EP | disclosed |