Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL104727 | 0.91 | IRAK4 (0.48) | IRAK4NISCHALDH1A1ACHESLC6A2 | |
| SCHEMBL31490450 | 0.91 | IRAK4 (0.48) | IRAK4NISCHALDH1A1ACHESLC6A2 | |
| Ammonia Solution, Strong SCHEMBL5891986 | 0.89 | IRAK4 (0.47) | IRAK4NISCHALDH1A1ACHESLC6A2 | |
| SCHEMBL28883167 | 0.89 | IRAK4 (0.47) | IRAK4NISCHALDH1A1ACHESLC6A2 | |
| Hydrochloric Acid SCHEMBL4624005 | 0.89 | IRAK4 (0.47) | IRAK4NISCHALDH1A1ACHESLC6A2 | |
| Formic Acid SCHEMBL28111659 | 0.80 | IRAK4 (0.49) | IRAK4NISCHALDH1A1ACHETSHR | |
| SCHEMBL11020631 | 0.78 | NISCH (0.45) | NISCHACHESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1592873 | 0.78 | NISCH (0.47) | NISCHACHESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29591819 | 0.77 | ALDH1A1 (0.57) | IRAK4NISCHALDH1A1ACHECYP1A2 | |
| SCHEMBL2069775 | 0.77 | ALDH1A1 (0.57) | IRAK4NISCHALDH1A1ACHECYP1A2 |
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-114057769-A | Macrocyclic pyridazine compound and application thereof | 上海拓界生物医药科技有限公司 | 2022-02-18 | — | — | CN | disclosed |