Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | PDE4A | P27815 | 1/20 | 0.56 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.56 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MET | P08581 | 3/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.54 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11140135 | 0.88 | POLB (0.74) | HDAC1POLBPDE4APDE4BPDE4C | |
| SCHEMBL24038687 | 0.85 | HDAC1 (0.53) | HDAC1POLBMETADORA2AIRAK4 | |
| SCHEMBL18772418 | 0.84 | CHEK1 (0.64) | HDAC1MEN1KMT2AMETIRAK4 | |
| SCHEMBL15941118 | 0.84 | IRAK4 (0.62) | HDAC1MEN1KMT2AMETIRAK4 | |
| SCHEMBL4124794 | 0.83 | TSHR (0.62) | HDAC1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL15940769 | 0.83 | IRAK4 (0.61) | HDAC1MEN1KMT2AMETIRAK4 | |
| SCHEMBL18772490 | 0.82 | MET (0.55) | HDAC1POLBMEN1KMT2AMET | |
| SCHEMBL2468839 | 0.81 | MET (0.60) | HDAC1METIRAK4 | |
| SCHEMBL4057475 | 0.81 | TBXAS1 (0.55) | HDAC1MEN1KMT2AMETCYP2E1 | |
| SCHEMBL2471194 | 0.80 | MET (0.61) | HDAC1METTP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104968658-B | Pyridazinone amide derivatives | 默克专利股份公司 | 2017-08-01 | — | — | CN | disclosed |