Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.36 |
| ▸ | CEL | P19835 | 2/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 6/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.32 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.32 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29986388 | 0.88 | CEL (0.35) | CYP17A1CELPTGDR2THRBPTGDR | |
| SCHEMBL38650546 | 0.70 | CYP17A1 (0.36) | CYP17A1ALDH1A1LMNA | |
| SCHEMBL28651241 | 0.68 | THRB (0.51) | THRB | |
| SCHEMBL30387432 | 0.65 | TDP1 (0.50) | ALDH1A1LMNA | |
| SCHEMBL29497476 | 0.64 | NPBWR1 (0.32) | — | |
| SCHEMBL3792360 | 0.64 | ALDH1A1 (0.46) | CELTHRBALDH1A1TDO2 | |
| SCHEMBL3781669 | 0.64 | CYP3A4 (0.45) | CELALDH1A1TDO2 | |
| SCHEMBL22632821 | 0.63 | THRB (0.52) | THRB | |
| SCHEMBL29987261 | 0.63 | THRB (0.35) | THRBTDO2 | |
| SCHEMBL3785645 | 0.62 | CYP3A4 (0.46) | CELALDH1A1TDO2 |
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-113278013-B | 2, 6-disubstituted 1,2, 4-triazine-3, 5-diketone compound and preparation method and application thereof | 昆药集团股份有限公司 | 2022-09-23 | — | — | CN | disclosed |