Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7689681 | 0.90 | HTR2A (0.54) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7697410 | 0.86 | HSD17B2 (0.46) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28626856 | 0.84 | HTR2A (0.42) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28624735 | 0.84 | HTR2A (0.42) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7694900 | 0.82 | GAA (0.48) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7694378 | 0.82 | GAA (0.48) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7693891 | 0.82 | GAA (0.48) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5789016 | 0.81 | GAA (0.48) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7688299 | 0.81 | GAA (0.47) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7692426 | 0.81 | SIGMAR1 (0.45) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 |
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-2002012185-A1 | PROCESS FOR PREPARING 2,3-DIAMINOPROPANOLS AND SYNTHESIS OF OTHER COMPOUNDS USING 2,3-DIAMINOPROPANOLS | CHEMBIONEX CO., LTD. (KR) | 2002-02-14 | — | — | WO | disclosed |