Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 4/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | PTPRF | P10586 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23735529 | 0.98 | PTGDR2 (0.42) | HTR1AHTR7ADRA2AADRA2BADRA2C | |
| SCHEMBL5887373 | 0.98 | PTGDR2 (0.42) | HTR1AHTR7ADRA2AADRA2BADRA2C | |
| SCHEMBL2653821 | 0.90 | CHRNB4 (0.41) | HTR1AHTR7ADRA2AADRA2BADRA2C | |
| SCHEMBL6349737 | 0.82 | HTR1A (0.40) | HTR1AHTR7ADRA2AADRA2BADRA2C | |
| SCHEMBL779938 | 0.82 | CHRNB4 (0.46) | HTR1AHTR7PTGDR2HTR1DHTR1B | |
| SCHEMBL6346792 | 0.80 | HTR1A (0.39) | HTR1AHTR7ADRA2AADRA2BADRA2C | |
| SCHEMBL9925465 | 0.80 | HTR2C (0.60) | HTR1AHTR2CSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL42781 | 0.79 | PTGDR2 (0.48) | ADRA2AADRA2BADRA2CPTGDR2HTR1D | |
| SCHEMBL6351189 | 0.79 | HTR1A (0.38) | HTR1AHTR7ADRA2AADRA2BADRA2C | |
| SCHEMBL28904978 | 0.78 | PTGDR2 (0.44) | PTGDR2HTR1DHTR1BPTGS2CHRNB4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5936128-A | BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV | WARNER-LAMBERT COMPANY (US) | 1999-08-10 | — | — | US | claimed |
| US-5808062-A | AIDS THERAPY | WARNER-LAMBERT COMPANY (US) | 1998-09-15 | — | — | US | claimed |
| EP-0729466-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | claimed |
| EP-0729463-A1 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | claimed |
| WO-1995014011-A2 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | claimed |
| WO-1995014014-A2 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | claimed |