Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 3/20 | 0.50 |
| ▸ | HTR1B | P28222 | 3/20 | 0.50 |
| ▸ | HTR1A | P08908 | 4/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6960163 | 0.93 | CARM1 (0.45) | HTR1DHTR1BHTR1ASLC6A4 | |
| SCHEMBL6954556 | 0.91 | HTR1A (0.60) | HTR1BHTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL7356374 | 0.87 | HTR1A (0.51) | HTR1DHTR1BHTR1ASLC6A4 | |
| SCHEMBL7291647 | 0.87 | HTR1A (0.51) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL7358948 | 0.87 | HTR1A (0.54) | HTR1DHTR1BHTR1ASLC6A4 | |
| SCHEMBL6958383 | 0.86 | HTR1A (0.52) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL6957729 | 0.85 | MPO (0.61) | HTR1DHTR1BHTR1AADRA1ASLC6A4 | |
| SCHEMBL6958552 | 0.85 | MPO (0.61) | HTR1DHTR1BHTR1AADRA1ASLC6A4 | |
| SCHEMBL6951363 | 0.85 | HTR1A (0.55) | HTR1DHTR1BHTR1ASLC6A4 | |
| SCHEMBL6952634 | 0.85 | MPO (0.61) | HTR1DHTR1BHTR1AADRA1ASLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0993458-B1 | 3-BENZYLPIPERIDINE | MERCK PATENT GMBH (DE) | 2003-04-09 | — | — | EP | disclosed |
| US-6333339-B1 | CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS | MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) | 2001-12-25 | — | — | US | disclosed |
| 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 |