Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GALR3 | O60755 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17954602 | 0.76 | TRPA1 (0.42) | KCNH2TRPA1DRD2LAP3MAOA | |
| SCHEMBL24521214 | 0.75 | KCNH2 (0.43) | KCNH2TRPA1SQORCYP1A2CYP2C9 | |
| SCHEMBL24521132 | 0.73 | KCNH2 (0.42) | KCNH2SQORNPSR1KDM4EALDH1A1 | |
| SCHEMBL17954603 | 0.73 | DRD2 (0.46) | KCNH2TRPA1DRD2KDM4EALDH1A1 | |
| SCHEMBL1036253 | 0.73 | DRD2 (0.46) | KCNH2TRPA1SQORDRD2ESR2 | |
| SCHEMBL11677346 | 0.73 | TRPA1 (0.42) | KCNH2TRPA1DRD2MAOAMAOB | |
| SCHEMBL24521134 | 0.72 | KCNH2 (0.41) | KCNH2TRPA1SQORCYP1A2CYP2C9 | |
| SCHEMBL28832495 | 0.72 | ADORA2A (0.41) | DRD2PRCPADORA2AADORA1 | |
| SCHEMBL20740870 | 0.70 | METAP2 (0.51) | METAP2ALDH1A1HPGDPTGDR2GABRG2 | |
| SCHEMBL819087 | 0.70 | KCNH2 (0.46) | KCNH2TRPA1DRD2KDM4EALDH1A1 |
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-105906546-B | Fluorine derivative for organic electroluminescence device | 默克专利有限公司 | 2019-02-22 | — | — | CN | disclosed |
| CN-105906546-A | FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES | 默克专利有限公司 | 2016-08-31 | — | — | CN | disclosed |