Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 3/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30249544 | 0.88 | TDO2 (0.41) | TDO2PIK3CAAOC3ALDH1A1PDE10A | |
| SCHEMBL25082164 | 0.88 | TDO2 (0.41) | TDO2PIK3CAAOC3ALDH1A1PDE10A | |
| SCHEMBL25082163 | 0.87 | TDO2 (0.36) | TDO2PIK3CAAOC3PDE10AMPO | |
| SCHEMBL25082092 | 0.87 | TDO2 (0.43) | TDO2PIK3CAAOC3MPOCNR2 | |
| SCHEMBL25082179 | 0.86 | TDO2 (0.54) | TDO2PIK3CAAOC3PDE10ACNR2 | |
| SCHEMBL25082139 | 0.85 | TDO2 (0.41) | TDO2PIK3CAAOC3MPOSCD | |
| SCHEMBL25082415 | 0.84 | TDO2 (0.43) | TDO2PIK3CAAOC3ADRA1ASCD | |
| SCHEMBL25082389 | 0.84 | TDO2 (0.41) | TDO2PIK3CAAOC3MPOCNR2 | |
| SCHEMBL25082131 | 0.80 | TLR9 (0.47) | AOC3ALDH1A1TLR9TLR8TLR7 | |
| SCHEMBL25082159 | 0.79 | SYK (0.45) | TDO2AOC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023020512-A1 | SUBSTITUTED PYRIDINE ANALOGUE, PREPARATION METHOD THEREFOR, AND USE THEREOF AS AHR MODULATOR | 成都奥睿药业有限公司 | 2023-02-23 | — | — | WO | disclosed |