Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY1R | P25929 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNG | P07510 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CHRND | Q07001 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.37 |
| ▸ | HTR1A | P08908 | 5/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 5/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14039981 | 0.93 | SLC6A3 (0.42) | NPY1RCHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL14039677 | 0.89 | GRIN1 (0.45) | GRIN1GRIN2ACHRNB2SLC6A2CHRNB4 | |
| SCHEMBL18537183 | 0.80 | ADRA1A (0.39) | GRIN1GRIN2ACHRNB2SLC6A2CHRNB4 | |
| SCHEMBL14154517 | 0.75 | GRIN1 (0.35) | GRIN1GRIN2AADRA1AHTR1AADRA1D | |
| SCHEMBL14039761 | 0.74 | SLC6A3 (0.42) | GRIN1GRIN2ACHRNA1CHRNGCHRNB1 | |
| SCHEMBL14039766 | 0.73 | HTR1A (0.35) | GRIN1GRIN2AADRA1AHTR1AADRA1D | |
| SCHEMBL28605867 | 0.71 | SLC6A3 (0.38) | NPY1RCHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL15874310 | 0.71 | KMT2A (0.43) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL19251049 | 0.71 | ADRA1A (0.44) | GRIN1GRIN2AADRA1AHTR1AADRA1D | |
| SCHEMBL10501603 | 0.71 | GRIN1 (0.46) | GRIN1GRIN2AADRA1AHTR1AADRA1D |
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 |
|---|---|---|---|---|---|---|---|
| EP-1776438-B1 | LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2008-10-08 | — | — | EP | disclosed |