Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.57 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.57 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.57 |
| ▸ | HTR7 | P34969 | 2/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.57 |
| ▸ | DRD4 | P21917 | 1/20 | 0.57 |
| ▸ | FPR3 | P25089 | 1/20 | 0.57 |
| ▸ | HTR1D | P28221 | 1/20 | 0.57 |
| ▸ | HTR1B | P28222 | 1/20 | 0.57 |
| ▸ | GPR183 | P32249 | 1/20 | 0.57 |
| ▸ | HRH1 | P35367 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL8128165 | 0.94 | HTR1A (0.54) | HTR1AADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL5203213 | 0.92 | ADRA2A (0.58) | HTR1AADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL7785364 | 0.90 | ADRA2A (0.71) | ADRA2AADRA2CADRA1DADRA1AADRA1B | |
| SCHEMBL7780284 | 0.88 | ADRA2A (0.59) | HTR1AADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL5200659 | 0.88 | HTR1A (0.62) | HTR1AADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL5201791 | 0.88 | HTR1A (0.49) | HTR1AADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL5203745 | 0.87 | HTR1A (0.50) | HTR1AADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL5201824 | 0.87 | ADRA2A (0.47) | HTR1AADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL5203699 | 0.86 | ADRA2A (0.53) | HTR1AADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL8126954 | 0.85 | HTR1A (0.52) | HTR1AADRA2AADRA2CADRA1DADRA1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0998474-B1 | PIPERAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-02-07 | — | — | EP | disclosed |
| 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 |