Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 11/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 11/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL1429750 | 0.82 | CHRNB4 (0.49) | NISCHCHRNB4CHRNA3MAPTKDM4E | |
| SCHEMBL29420191 | 0.82 | CHRNB4 (0.49) | NISCHCHRNB4CHRNA3MAPTKDM4E | |
| Methyl Alcohol SCHEMBL28796119 | 0.81 | CHRNB4 (0.45) | NISCHCHRNB4CHRNA3MAPTKDM4E | |
| SCHEMBL38652147 | 0.79 | CHRNB4 (0.46) | CHRNB4CHRNA3MAPTHDAC8HDAC6 | |
| SCHEMBL22097300 | 0.79 | CHRNB4 (0.46) | NISCHCHRNB4CHRNA3MAPTKDM4E | |
| SCHEMBL2360101 | 0.79 | CHRNB4 (0.46) | NISCHCHRNB4CHRNA3MAPTKDM4E | |
| SCHEMBL14194429 | 0.79 | CHRNB4 (0.49) | CHRNB4CHRNA3MAPTKDM4EGAA | |
| SCHEMBL17353143 | 0.77 | CHRNB4 (0.56) | CHRNB4CHRNA3MAPTKDM4EHDAC8 | |
| SCHEMBL29833755 | 0.74 | CHRNB4 (0.52) | NISCHCHRNB4CHRNA3MAPTALDH1A1 | |
| SCHEMBL22039419 | 0.72 | CHRNB4 (0.46) | NISCHCHRNB4CHRNA3HDAC8ALDH1A1 |
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-2020119206-A1 | RADIOACTIVE IODINE-LABELLED LAROTRECTINIB COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海健康医学院 | 2020-06-18 | — | — | WO | disclosed |