Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | DDR2 | Q16832 | 5/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.49 |
| ▸ | CDK8 | P49336 | 2/20 | 0.49 |
| ▸ | PRKX | P51817 | 2/20 | 0.49 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.49 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.49 |
| ▸ | PRKACA | P17612 | 1/20 | 0.49 |
| ▸ | LTK | P29376 | 1/20 | 0.49 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.49 |
| ▸ | CLK2 | P49760 | 1/20 | 0.49 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.49 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.49 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL25590402 | 1.00 | KDM4E (0.55) | KDM4EALDH1A1HTTDDR2AURKB | |
| SCHEMBL25591603 | 0.92 | ATR (0.57) | KDM4EALDH1A1HTTAURKBAURKA | |
| SCHEMBL25591775 | 0.85 | MAOB (0.62) | KDM4EALDH1A1DDR2AURKBMAP4K4 | |
| SCHEMBL25590490 | 0.80 | ATR (0.58) | KDM4EALDH1A1MAP4K4PRKD3CLK2 | |
| SCHEMBL25591508 | 0.80 | KDR (0.49) | KDM4EALDH1A1AURKBMAP4K4PRKD3 | |
| SCHEMBL25590666 | 0.77 | MAOB (0.53) | KDM4EALDH1A1MAP4K4PRKD3CLK2 | |
| SCHEMBL25590400 | 0.76 | CLK2 (0.46) | KDM4EALDH1A1AURKBMAP4K4PRKD3 | |
| SCHEMBL5405791 | 0.72 | MAOB (0.65) | MAP4K4PRKD3CLK2CLK4ROCK1 | |
| SCHEMBL25218898 | 0.71 | GAA (0.55) | KDM4EALDH1A1FLT3MAP4K1SMN1; SMN2 | |
| SCHEMBL30184168 | 0.71 | GAA (0.55) | KDM4EALDH1A1FLT3MAP4K1SMN1; SMN2 |
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-115785064-B | Preparation of trisubstituted pyridine derivatives and use thereof as modulators of aromatic hydrocarbon receptors | 成都奥睿药业有限公司 | 2024-12-06 | — | — | CN | disclosed |
| WO-2023088435-A1 | PREPARATION FOR TRISUBSTITUTED PYRIDINE DERIVATIVE AND APPLICATION AS AROMATIC HYDROCARBON RECEPTOR MODULATOR | 成都奥睿药业有限公司 | 2023-05-25 | — | — | WO | disclosed |
| CN-115785064-A | Preparation of tri-substituted pyridine derivatives and their use as modulators of aromatic hydrocarbon receptors | 成都奥睿药业有限公司 | 2023-03-14 | — | — | CN | disclosed |