Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.41 |
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | PARP6 | Q2NL67 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24649916 | 1.00 | HDAC1 (0.51) | HDAC1GPR119MAP4K4MEN1MAPT | |
| SCHEMBL24649851 | 1.00 | HDAC1 (0.51) | HDAC1GPR119MAP4K4MEN1MAPT | |
| SCHEMBL24649853 | 0.88 | GPR119 (0.49) | HDAC1GPR119MAP4K4MEN1MAPT | |
| SCHEMBL24649915 | 0.88 | GPR119 (0.49) | HDAC1GPR119MAP4K4MEN1MAPT | |
| SCHEMBL25738205 | 0.88 | GPR119 (0.49) | HDAC1GPR119MAP4K4MEN1MAPT | |
| SCHEMBL28869871 | 0.88 | MEN1 (0.44) | HDAC1GPR119MEN1MAPTTSHR | |
| SCHEMBL28869874 | 0.88 | MEN1 (0.44) | HDAC1GPR119MEN1MAPTTSHR | |
| SCHEMBL30010401 | 0.88 | MEN1 (0.44) | HDAC1GPR119MEN1MAPTTSHR | |
| SCHEMBL16339346 | 0.88 | GPR119 (0.51) | HDAC1GPR119MAP4K4MEN1MAPT | |
| SCHEMBL30011368 | 0.88 | MEN1 (0.44) | HDAC1GPR119MEN1MAPTTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232121-B | Pyridine derivative and application thereof in medicine | 成都百裕制药股份有限公司 | 2023-08-29 | — | — | CN | disclosed |
| WO-2023134647-A1 | PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 优领医药科技(香港)有限公司 | 2023-07-20 | — | — | WO | disclosed |
| CN-115232121-A | Pyridine derivative and application thereof in medicine | 成都百裕制药股份有限公司 | 2022-10-25 | — | — | CN | disclosed |