Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 4/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | RAF1 | P04049 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28128885 | 0.82 | HDAC1 (0.35) | HDAC1HDAC6MAPK14GCGRIKBKE | |
| Pyridine SCHEMBL28869134 | 0.78 | HDAC1 (0.44) | HDAC1HDAC6MAPK14GCGRIKBKE | |
| Pyridine SCHEMBL28139351 | 0.73 | CYP3A4 (0.45) | NPY5RHDAC1HDAC6NOTUMIKBKE | |
| SCHEMBL9227395 | 0.73 | AHR (0.52) | NPY5RHDAC1HDAC6NOTUMCNR1 | |
| Pyridine SCHEMBL28547162 | 0.72 | CYP3A4 (0.44) | NPY5RHDAC1HDAC6NOTUMIKBKE | |
| SCHEMBL25463591 | 0.70 | MAPT (0.46) | NPY5RNOTUMMAPK14GCGR | |
| SCHEMBL25463021 | 0.68 | CYP11B1 (0.56) | NPY5R | |
| SCHEMBL28128887 | 0.68 | TP53 (0.54) | NPY5RNOTUMCNR1 | |
| Pyridine SCHEMBL28186815 | 0.68 | ASIC3 (0.50) | HDAC1HDAC6IKBKETBK1CHEK1 | |
| Pyridine SCHEMBL28326371 | 0.68 | SCN4A (0.47) | MAPK14GCGRMAPK13RAF1MAPK12 |
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-104356053-B | Preparation method of 2-(3-halogen phenyl) pyridine derivative | 天津大学 | 2017-01-18 | — | — | CN | disclosed |