Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.33 |
| ▸ | TPH1 | P17752 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 5/20 | 0.32 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | BTK | Q06187 | 1/20 | 0.30 |
| ▸ | CAMKK1 | Q8N5S9 | 1/20 | 0.30 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14766529 | 0.92 | TPH1 (0.33) | HCRTR2TPH1KDM1AKDM4ECYP2D6 | |
| SCHEMBL12737659 | 0.92 | PDE4A (0.34) | PDE4APDE4BPDE4CPDE4DHCRTR2 | |
| SCHEMBL14766037 | 0.91 | KDM1A (0.40) | HCRTR2TPH1KDM1ACAMKK1CAMKK2 | |
| SCHEMBL14767109 | 0.91 | HTR2C (0.33) | HCRTR2HTR2CHTR2ATSHRHTR2B | |
| SCHEMBL14766431 | 0.91 | HTR2C (0.33) | HCRTR2HTR2CHTR2ATSHRHTR2B | |
| SCHEMBL12823245 | 0.89 | PDE4A (0.34) | PDE4APDE4BPDE4CPDE4DTPH1 | |
| SCHEMBL14766001 | 0.89 | KDM1A (0.39) | PDE4APDE4BPDE4CPDE4DHCRTR2 | |
| SCHEMBL12737639 | 0.88 | KDM1A (0.38) | TPH1KDM1ACAMKK1CAMKK2 | |
| SCHEMBL14766131 | 0.88 | SCN9A (0.36) | PDE4APDE4BPDE4CPDE4DTPH1 | |
| SCHEMBL14766130 | 0.87 | SCN9A (0.37) | TPH1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-8394294-B2 | Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-03-12 | — | — | US | disclosed |