Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21652176 | 0.78 | SLC10A1 (0.49) | KDM4EHTTNPSR1L3MBTL1CYP2D6 | |
| SCHEMBL6420641 | 0.75 | KDM4E (0.69) | KDM4EHTTNPSR1L3MBTL1CYP2D6 | |
| SCHEMBL6754929 | 0.75 | KDM4E (0.69) | KDM4EHTTNPSR1L3MBTL1CYP2D6 | |
| SCHEMBL6564769 | 0.72 | KDM4E (0.69) | KDM4EHTTNPSR1L3MBTL1CYP2D6 | |
| SCHEMBL16805225 | 0.72 | MEN1 (0.68) | KDM4ECHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL6302647 | 0.71 | KDM4E (0.67) | KDM4EHTTNPSR1L3MBTL1CYP2D6 | |
| SCHEMBL21652279 | 0.71 | SLC10A1 (0.45) | KDM4EHTTNPSR1L3MBTL1CYP2D6 | |
| SCHEMBL21652272 | 0.70 | SLC10A1 (0.44) | KDM4EHTTNPSR1L3MBTL1CYP2D6 | |
| SCHEMBL21652166 | 0.69 | ALDH1A1 (0.43) | KDM4EHTTL3MBTL1CHRNB2CHRNA4 | |
| SCHEMBL4281005 | 0.67 | CYP2D6 (0.72) | KDM4EHTTNPSR1L3MBTL1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020019911-A1 | BORON NITROGEN LIGAND BASED ON CHIRAL 1,2-ETHYLENEDIAMINE BACKBONE AND PREPARATION METHOD AND USE THEREOF | 中国科学院兰州化学物理研究所苏州研究院 | 2020-01-30 | — | — | WO | disclosed |