Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 3/20 | 0.45 |
| ▸ | RAF1 | P04049 | 3/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | AKT1 | P31749 | 3/20 | 0.45 |
| ▸ | AKT2 | P31751 | 3/20 | 0.45 |
| ▸ | KDR | P35968 | 3/20 | 0.45 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.45 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.45 |
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.45 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.45 |
| ▸ | NEK1 | Q96PY6 | 3/20 | 0.45 |
| ▸ | PRKAB1 | Q9Y478 | 3/20 | 0.45 |
| ▸ | PRDX1 | Q06830 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| 2-Pyridinecarboxaldehyde SCHEMBL28090541 | 0.88 | MEN1 (0.52) | IKBKBRAF1RPS6KB1MAPK1AKT1 | |
| 2-Pyridinecarboxaldehyde SCHEMBL28325108 | 0.84 | MEN1 (0.48) | IKBKBRAF1RPS6KB1MAPK1AKT1 | |
| 2-Pyridinecarboxaldehyde SCHEMBL28133689 | 0.82 | — | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL29396810 | 0.80 | — | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL55278 | 0.80 | — | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL17397008 | 0.78 | — | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL17397014 | 0.78 | — | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL4494509 | 0.78 | MEN1 (0.64) | IKBKBRAF1RPS6KB1MAPK1AKT1 | |
| 2-Pyridinecarboxaldehyde SCHEMBL6943571 | 0.78 | — | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL4250790 | 0.78 | — | — |
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-109666950-A | method for electrochemically synthesizing tetrazole compound | 浙江工业大学 | 2019-04-23 | — | — | CN | disclosed |