Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7780297 | 0.96 | ADRA2A (0.46) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL7780289 | 0.94 | HTR1A (0.45) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL5203696 | 0.90 | ADRA2A (0.54) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL8124386 | 0.90 | HTR1A (0.43) | HTR1ASLC6A4HTR7KCNH2ADRA2A | |
| SCHEMBL7784874 | 0.90 | SLC6A4 (0.48) | HTR1ASLC6A4ADRA2AADRA2BADRA2C | |
| SCHEMBL7784866 | 0.90 | SLC6A4 (0.48) | HTR1ASLC6A4HTR7ADRA2AADRA2B | |
| SCHEMBL7788881 | 0.88 | HTR1A (0.51) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL7784876 | 0.87 | HTR1A (0.43) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL7780314 | 0.86 | ADRA2A (0.43) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL7784875 | 0.84 | SLC6A4 (0.54) | HTR1ASLC6A4ADRA2AADRA2BADRA2C |
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-0998474-A1 | PIPERAZINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2000-05-10 | — | — | EP | disclosed |
| WO-1999003855-A1 | PIPERAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1999-01-28 | — | — | WO | disclosed |