Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.47 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.47 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAP3K7 | O43318 | 4/20 | 0.40 |
| ▸ | GAK | O14976 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25082159 | 0.88 | SYK (0.45) | ACVR1AOC3MAP3K7GAKWDR5 | |
| SCHEMBL25082096 | 0.85 | TSHR (0.58) | TLR9TLR8TLR7ACVR1AOC3 | |
| SCHEMBL25082179 | 0.83 | TDO2 (0.54) | AOC3 | |
| SCHEMBL25082092 | 0.82 | TDO2 (0.43) | AOC3 | |
| SCHEMBL25082139 | 0.80 | TDO2 (0.41) | AOC3 | |
| SCHEMBL25082145 | 0.80 | TDO2 (0.41) | TLR9TLR8TLR7AOC3ALDH1A1 | |
| SCHEMBL25082415 | 0.80 | TDO2 (0.43) | AOC3 | |
| SCHEMBL25082389 | 0.80 | TDO2 (0.41) | ACVR1AOC3KDM4E | |
| SCHEMBL25082164 | 0.79 | TDO2 (0.41) | ACVR1AOC3ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL30249544 | 0.79 | TDO2 (0.41) | ACVR1AOC3ALDH1A1CYP3A4CYP2C9 |
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 |