Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.52 |
| ▸ | 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 |
| ▸ | HTR1D | P28221 | 1/20 | 0.49 |
| ▸ | HTR1B | P28222 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7879034 | 0.93 | HTR1A (0.55) | HTR1ASLC6A4ADRA2AADRA2BADRA2C | |
| SCHEMBL7879009 | 0.93 | HTR1A (0.55) | HTR1ASLC6A4 | |
| SCHEMBL7880274 | 0.93 | HTR1A (0.55) | HTR1ASLC6A4ADRA2AADRA2BADRA2C | |
| SCHEMBL7880351 | 0.92 | HTR1A (0.54) | HTR1ASLC6A4ADRA2AADRA2BADRA2C | |
| SCHEMBL7881308 | 0.92 | ADRA2A (0.58) | HTR1ASLC6A4ADRA2AADRA2BADRA2C | |
| SCHEMBL6947723 | 0.91 | KDM4E (0.58) | HTR1ASLC6A4HTR1DHTR1BKDM4E | |
| SCHEMBL7881273 | 0.90 | HTR1A (0.53) | HTR1ASLC6A4 | |
| SCHEMBL27417126 | 0.89 | HTR1A (0.55) | HTR1ASLC6A4ADRA2AADRA2BADRA2C | |
| SCHEMBL6958383 | 0.88 | HTR1A (0.52) | HTR1ASLC6A4ADRA2AADRA2BADRA2C | |
| SCHEMBL6954556 | 0.86 | HTR1A (0.60) | 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 3 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 | claimed |
| US-6333339-B1 | CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS | MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) | 2001-12-25 | — | — | US | claimed |
| US-6333339-B1 | CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS | MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) | 2001-12-25 | — | — | US | disclosed |