Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2743529 | 0.82 | ALDH1A1 (0.57) | ERN1ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL29428386 | 0.81 | ERN1 (0.67) | ERN1ALDH1A1NPSR1KDM4EHPGD | |
| SCHEMBL28448638 | 0.79 | TUBB1 (0.45) | ERN1MAPTNPC1SMN1; SMN2MEN1 | |
| SCHEMBL11763981 | 0.78 | ERN1 (0.46) | ERN1ALDH1A1KDM4EHPGDMCL1 | |
| SCHEMBL29428372 | 0.78 | MAPT (0.61) | ERN1ALDH1A1NPSR1KDM4EHPGD | |
| SCHEMBL28456482 | 0.76 | MAPT (0.44) | ERN1ALDH1A1NPSR1KDM4EHPGD | |
| SCHEMBL6130225 | 0.76 | MAPT (0.73) | ALDH1A1NPSR1KDM4EHPGDMAPT | |
| SCHEMBL29583549 | 0.76 | ERN1 (0.53) | ERN1ALDH1A1NPSR1KDM4EHPGD | |
| SCHEMBL3643965 | 0.76 | ERN1 (0.53) | ERN1ALDH1A1NPSR1KDM4EHPGD | |
| SCHEMBL28458172 | 0.76 | MAPT (0.63) | ERN1ALDH1A1KDM4EHPGDMCL1 |
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-111662331-B | Phosphine ligand, preparation method thereof and application of phosphine ligand in catalytic synthesis of ortho-tetra-substituted biaryl | 宁波赜军医药科技有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-111662331-A | Phosphine ligand, preparation method thereof and application of phosphine ligand in catalytic synthesis of ortho-tetra-substituted biaryl | 中国科学院上海有机化学研究所 | 2020-09-15 | — | — | CN | disclosed |