Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 3/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7785358 | 0.94 | SLC6A4 (0.54) | SLC6A4HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL7784866 | 0.92 | SLC6A4 (0.48) | SLC6A4NPC1HTR1AADRA2AADRA2B | |
| SCHEMBL7784879 | 0.92 | SLC6A4 (0.49) | SLC6A4NPC1HTR1AADRA2AADRA2B | |
| SCHEMBL7784874 | 0.92 | SLC6A4 (0.48) | SLC6A4NPC1HTR1AADRA2AADRA2B | |
| SCHEMBL7780314 | 0.91 | ADRA2A (0.43) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL7787389 | 0.89 | SLC6A4 (0.47) | SLC6A4NPC1HTR1AADRA2AADRA2B | |
| SCHEMBL7785359 | 0.87 | HTR1A (0.53) | SLC6A4HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL7787387 | 0.86 | SLC6A4 (0.54) | SLC6A4HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL7784875 | 0.86 | SLC6A4 (0.54) | SLC6A4HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL7787566 | 0.86 | SLC6A4 (0.56) | SLC6A4HTR1AADRA2AADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| CN-1093127-C | Piperazine derivatives | MERCK PATENT GMBH (DE) | 2002-10-23 | — | — | CN | disclosed |
| US-6251908-B1 | Piperazine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2001-06-26 | — | — | US | disclosed |
| CN-1264379-A | Piperazine derivatives | MERCK PATENT GMBH (DE) | 2000-08-23 | — | — | CN | disclosed |