Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 12/20 | 0.46 |
| ▸ | MTOR | P42345 | 2/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | MAP3K13 | O43283 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25082120 | 0.87 | PDE10A (0.45) | MAP3K12PDE10ACHRNA7KCNH2 | |
| SCHEMBL25082102 | 0.87 | PDE10A (0.45) | MAP3K12PDE10ACHRNA7KCNH2 | |
| SCHEMBL25082114 | 0.87 | PDE10A (0.45) | MAP3K12PDE10ACHRNA7KCNH2 | |
| SCHEMBL25082132 | 0.74 | MAP3K12 (0.45) | MAP3K12 | |
| SCHEMBL25082103 | 0.74 | MAP3K12 (0.45) | MAP3K12 | |
| SCHEMBL25082121 | 0.74 | MAP3K12 (0.45) | MAP3K12 | |
| SCHEMBL25082352 | 0.72 | ALDH1A1 (0.53) | MTORPIK3CA | |
| SCHEMBL25082119 | 0.70 | PDE10A (0.41) | PIK3CAPDE10A | |
| SCHEMBL1431158 | 0.70 | PIK3CA (0.51) | MAP3K12MTORPIK3CAPDE10AATR | |
| SCHEMBL25082353 | 0.69 | PDE10A (0.47) | PDE10A |
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 |