Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.54 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7356533 | 0.94 | ADRA2A (0.46) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL7352278 | 0.94 | BCHE (0.47) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL6959392 | 0.93 | ADRA2A (0.54) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL7356374 | 0.93 | HTR1A (0.51) | HTR1ASLC6A4 | |
| SCHEMBL7355825 | 0.92 | MPO (0.48) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL7384064 | 0.90 | HTR1A (0.48) | HTR1ASLC6A4 | |
| SCHEMBL7881308 | 0.89 | ADRA2A (0.58) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL6954556 | 0.88 | HTR1A (0.60) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL6958383 | 0.88 | HTR1A (0.52) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL6959865 | 0.87 | BCHE (0.49) | ADRA2AADRA2BADRA2CADRA1DADRA1A |
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-0993458-A1 | 3-BENZYLPIPERIDINE | MERCK PATENT GmbH (DE) | 2000-04-19 | — | — | EP | disclosed |
| WO-1998057953-A1 | 3-BENZYLPIPERIDINE | MERCK PATENT GMBH (DE) | 1998-12-23 | — | — | WO | disclosed |