Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 6/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 6/20 | 0.39 |
| ▸ | RELA | Q04206 | 6/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | TSPO | P30536 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL633302 | 0.74 | SIGMAR1 (0.54) | SIGMAR1CHRM5HTR2CALDH1A1CHRM2 | |
| SCHEMBL633907 | 0.74 | SIGMAR1 (0.54) | SIGMAR1CHRM5HTR2CALDH1A1CHRM2 | |
| SCHEMBL5697392 | 0.74 | NFKB1 (0.53) | NFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL3293393 | 0.74 | SIGMAR1 (0.45) | SIGMAR1CHRM5TMEM97HTR1AADRA2A | |
| SCHEMBL5697403 | 0.72 | SIGMAR1 (0.43) | SIGMAR1CHRM5TMEM97HTR1AADRA2A | |
| SCHEMBL1058888 | 0.69 | SIGMAR1 (0.60) | SIGMAR1CHRM5HTR2CCCR5ALDH1A1 | |
| SCHEMBL23539335 | 0.68 | SIGMAR1 (0.53) | SIGMAR1CHRM5HTR2CALDH1A1CHRM2 | |
| SCHEMBL2079859 | 0.68 | SIGMAR1 (0.53) | SIGMAR1CHRM5HTR2CCCR5ALDH1A1 | |
| SCHEMBL15751283 | 0.67 | SIGMAR1 (0.52) | SIGMAR1CHRM5HTR2CCCR5ALDH1A1 | |
| SCHEMBL1961705 | 0.67 | SIGMAR1 (0.54) | SIGMAR1CHRM5HTR2CCCR5ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1675842-A1 | DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Wyeth (US) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005040146-A1 | DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | WYETH (US) | 2005-05-06 | — | — | WO | disclosed |