Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1280264 | 0.79 | AR (0.42) | ARKDM4ECYP3A4THRBALDH1A1 | |
| SCHEMBL16028244 | 0.71 | CYP3A4 (0.58) | KDM4ECYP3A4THRBALDH1A1TSHR | |
| SCHEMBL28518928 | 0.71 | AR (0.41) | ARKDM4ECYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL28516384 | 0.71 | AR (0.43) | ARKDM4ECYP3A4ALDH1A1TSHR | |
| SCHEMBL1280154 | 0.71 | CYP3A4 (0.55) | KDM4ECYP3A4THRBTSHRCYP2C9 | |
| SCHEMBL1279694 | 0.70 | CYP3A4 (0.52) | KDM4ECYP3A4THRBTSHRCYP2C9 | |
| SCHEMBL1279615 | 0.70 | CYP3A4 (0.47) | KDM4ECYP3A4THRBTSHRCYP2C9 | |
| SCHEMBL28039664 | 0.67 | KDM4E (0.43) | ARKDM4EDRD2ALDH1A1TSHR | |
| SCHEMBL1279614 | 0.67 | CYP3A4 (0.53) | ARKDM4ECYP3A4THRBTSHR | |
| SCHEMBL22160949 | 0.67 | MEN1 (0.39) | CYP3A4THRBALDH1A1CYP2C9LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112047895-B | Triazole compound, and preparation method and application thereof | 东莞市东阳光农药研发有限公司 | 2024-05-14 | — | — | CN | disclosed |
| CN-112047895-A | Triazole compound and preparation method and application thereof | 东莞市东阳光农药研发有限公司 | 2020-12-08 | — | — | CN | disclosed |