Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4753119 | 0.94 | GRM5 (0.42) | GRM5CYP1A2CYP3A4GABRA1GABRG2 | |
| SCHEMBL4751002 | 0.82 | ALDH1A1 (0.47) | GRM5CYP1A2CYP3A4KMT2AKDM4E | |
| SCHEMBL4750792 | 0.78 | POLB (0.52) | CYP1A2PPARGGABRA1GABRG2GABRB3 | |
| SCHEMBL4751028 | 0.78 | ALDH1A1 (0.45) | KMT2AKDM4EALDH1A1POLBMAPT | |
| SCHEMBL4753147 | 0.77 | ALDH1A1 (0.45) | PPARGKMT2AKDM4EMEN1KCNH2 | |
| SCHEMBL4750996 | 0.77 | ALDH1A1 (0.45) | CYP1A2KMT2AKDM4EMEN1KCNH2 | |
| SCHEMBL4753160 | 0.76 | ALDH1A1 (0.50) | GRM5CYP1A2CYP3A4KMT2AKDM4E | |
| SCHEMBL22838001 | 0.73 | ALDH1A1 (0.44) | KMT2AMEN1ALDH1A1POLBGAA | |
| SCHEMBL4750772 | 0.73 | ALDH1A1 (0.45) | PPARGKMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL4752742 | 0.72 | PPARG (0.41) | PPARGGABRA1GABRG2GABRB3GABRA5 |
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-2008147864-A2 | METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS | XENON PHARMACEUTICALS INC. (CA) | 2008-12-04 | — | — | WO | disclosed |